(2S)-2-[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-ium-1-yl]propanamide

Systemtic Name: (2S)-2-[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-[(3-methylphenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]propanamide IUPAC Name: (2S)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-ium-1-yl]propanamide Traditional Name: (2S)-2-(4-m-toluoyl-1,4-diazepan-1-ium-1-yl)propionamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCC[NH+](CC2)C(C)C(=O)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCC[NH+](CC2)[C@@H](C)C(=O)N

InChI

InChI=1S/C16H23N3O2/c1-12-5-3-6-14(11-12)16(21)19-8-4-7-18(9-10-19)13(2)15(17)20/h3,5-6,11,13H,4,7-10H2,1-2H3,(H2,17,20)/p+1/t13-/m0/s1