(2S)-N-(3-carbamothioylphenyl)-2-pyrrolidin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(3-carbamothioylphenyl)-2-pyrrolidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(3-carbamothioylphenyl)-2-pyrrolidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(3-carbamothioylphenyl)-2-(1-pyrrolidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(3-carbamothioylphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide Traditional Name: (2S)-2-pyrrolidin-1-ium-1-yl-N-(3-thiocarbamoylphenyl)propionamide Formula: C14H20N3OS+ MolecularWeight: 278.3931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=S)N)[NH+]2CCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C(=S)N)[NH+]2CCCC2

InChI

InChI=1S/C14H19N3OS/c1-10(17-7-2-3-8-17)14(18)16-12-6-4-5-11(9-12)13(15)19/h4-6,9-10H,2-3,7-8H2,1H3,(H2,15,19)(H,16,18)/p+1/t10-/m0/s1