dimethyl-[(1S)-2-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium Traditional Name: [(1S)-2-[[2-(2-ketoazepan-1-yl)acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CN1CCCCCC1=O)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CN1CCCCCC1=O)C2=CC=CC=C2

InChI

InChI=1S/C18H27N3O2/c1-20(2)16(15-9-5-3-6-10-15)13-19-17(22)14-21-12-8-4-7-11-18(21)23/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3,(H,19,22)/p+1/t16-/m1/s1