(2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(3-cyanophenyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-cyanophenyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propionamide Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCCC2C3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCC[C@@H]2C3=CC=CS3

InChI

InChI=1S/C18H19N3OS/c1-13(18(22)20-15-6-2-5-14(11-15)12-19)21-9-3-7-16(21)17-8-4-10-23-17/h2,4-6,8,10-11,13,16H,3,7,9H2,1H3,(H,20,22)/p+1/t13-,16+/m0/s1