(2S)-2-acetamido-3-(4-propan-2-ylphenyl)sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(4-propan-2-ylphenyl)sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(4-isopropylphenyl)sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(4-propan-2-ylphenyl)thio]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(4-propan-2-ylphenyl)sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide Traditional Name: (2S)-2-acetamido-3-(p-cumenylthio)-N-(2-pyrrolidin-1-ium-1-ylethyl)propionamide Formula: C20H32N3O2S+ MolecularWeight: 378.55198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O2S/c1-15(2)17-6-8-18(9-7-17)26-14-19(22-16(3)24)20(25)21-10-13-23-11-4-5-12-23/h6-9,15,19H,4-5,10-14H2,1-3H3,(H,21,25)(H,22,24)/p+1/t19-/m1/s1