(2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(3-chloro-4-methyl-phenyl)sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(3-chloro-4-methylphenyl)thio]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(3-chloro-4-methylphenyl)sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide Traditional Name: (2S)-2-acetamido-3-[(3-chloro-4-methyl-phenyl)thio]-N-(2-pyrrolidin-1-ium-1-ylethyl)propionamide Formula: C18H27ClN3O2S+ MolecularWeight: 384.94388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(C(=O)NCC[NH+]2CCCC2)NC(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)SC[C@H](C(=O)NCC[NH+]2CCCC2)NC(=O)C)Cl

InChI

InChI=1S/C18H26ClN3O2S/c1-13-5-6-15(11-16(13)19)25-12-17(21-14(2)23)18(24)20-7-10-22-8-3-4-9-22/h5-6,11,17H,3-4,7-10,12H2,1-2H3,(H,20,24)(H,21,23)/p+1/t17-/m1/s1