Molecule ID: 118796909

IUPAC Name: [(5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-4-oxo-1,3-oxazolidin-2-ylidene]azanium

Description: The molecule is an organic cation obtained by protonation at position 3 in the oxazole ring of N-demethylindolmycin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate acid of a N-demethylindolmycin.

SMILES: C[C@H](c1c[nH]c2ccccc12)[C@@H]1OC(=[NH2+])N=C1O

SELFIES: [C][C@H1][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@H1][O][C][=Branch1][C][=NH2+1][N][=C][Ring1][=Branch1][O]

InChI: InChI=1S/C13H13N3O2/c1-7(11-12(17)16-13(14)18-11)9-6-15-10-5-3-2-4-8(9)10/h2-7,11,15H,1H3,(H2,14,16,17)/p+1/t7-,11+/m1/s1

Molecular Properties:
- Polar Surface Area: 79.7 Ų
- LogP: 2.1