(2S)-2-(azepan-1-ium-1-yl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]propanamide

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]propanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]propanamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-propionamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(C)[NH+]2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)[C@H](C)[NH+]2CCCCCC2

InChI

InChI=1S/C19H29N3O2/c1-15-8-10-17(11-9-15)20-18(23)14-21(3)19(24)16(2)22-12-6-4-5-7-13-22/h8-11,16H,4-7,12-14H2,1-3H3,(H,20,23)/p+1/t16-/m0/s1