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

Systemtic Name: (2S)-2-acetamido-3-(4-methoxyphenyl)sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(4-methoxyphenyl)sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(4-methoxyphenyl)thio]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(4-methoxyphenyl)sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide Traditional Name: (2S)-2-acetamido-3-[(4-methoxyphenyl)thio]-N-(2-pyrrolidin-1-ium-1-ylethyl)propionamide Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC)C(=O)NCC[NH+]2CCCC2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC)C(=O)NCC[NH+]2CCCC2

InChI

InChI=1S/C18H27N3O3S/c1-14(22)20-17(13-25-16-7-5-15(24-2)6-8-16)18(23)19-9-12-21-10-3-4-11-21/h5-8,17H,3-4,9-13H2,1-2H3,(H,19,23)(H,20,22)/p+1/t17-/m1/s1