(2S)-2-acetamido-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-butanamide

Systemtic Name: (2S)-2-acetamido-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-butanamide Openeye Name: (2S)-2-acetamido-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-butanamide CAS Name: (2S)-2-acetamido-N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-methylbutanamide IUPAC Name: (2S)-2-acetamido-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methylbutanamide Traditional Name: (2S)-2-acetamido-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-butyramide Formula: C19H29ClN3O2+ MolecularWeight: 366.90546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(C1=CC=CC=C1Cl)[NH+]2CCCC2)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NC[C@@H](C1=CC=CC=C1Cl)[NH+]2CCCC2)NC(=O)C

InChI

InChI=1S/C19H28ClN3O2/c1-13(2)18(22-14(3)24)19(25)21-12-17(23-10-6-7-11-23)15-8-4-5-9-16(15)20/h4-5,8-9,13,17-18H,6-7,10-12H2,1-3H3,(H,21,25)(H,22,24)/p+1/t17-,18-/m0/s1