N-[(2S)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]-2-naphthalen-1-yl-ethanamide

Systemtic Name: N-[(2S)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]-2-naphthalen-1-yl-ethanamide Openeye Name: N-[(1S)-1-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxo-ethyl]-2-(1-naphthyl)acetamide CAS Name: N-[(2S)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-oxopropan-2-yl]-2-(1-naphthalenyl)acetamide IUPAC Name: N-[(2S)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]-2-(1-naphthyl)acetamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC[NH+](CC1)C)NC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

C[C@@H](C(=O)N1CCC[NH+](CC1)C)NC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H27N3O2/c1-16(21(26)24-12-6-11-23(2)13-14-24)22-20(25)15-18-9-5-8-17-7-3-4-10-19(17)18/h3-5,7-10,16H,6,11-15H2,1-2H3,(H,22,25)/p+1/t16-/m0/s1