Molecule ID: 6992031

IUPAC Name: (2R)-1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide

Description: The molecule is the (R)-(+)-enantiomer of bupivacaine(1+). It is a conjugate acid of a dextrobupivacaine. It is an enantiomer of a levobupivacaine(1+).

SMILES: CCCCN1CCCC[C@@H]1C(O)=[NH+]c1c(C)cccc1C

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

InChI: InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/p+1/t16-/m1/s1

Molecular Properties:
- Polar Surface Area: 33.5 Ų
- LogP: 3.4