3-[methyl(phenyl)amino]propyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium

Systemtic Name: 3-[methyl(phenyl)amino]propyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: 3-(N-methylanilino)propyl-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: 3-(N-methylanilino)propyl-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: 3-(N-methylanilino)propyl-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: [(3S)-2-ketoazepan-3-yl]-[3-(N-methylanilino)propyl]ammonium Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[NH2+]C1CCCCNC1=O)C2=CC=CC=C2

Isomeric SMILES

CN(CCC[NH2+][C@H]1CCCCNC1=O)C2=CC=CC=C2

InChI

InChI=1S/C16H25N3O/c1-19(14-8-3-2-4-9-14)13-7-12-17-15-10-5-6-11-18-16(15)20/h2-4,8-9,15,17H,5-7,10-13H2,1H3,(H,18,20)/p+1/t15-/m0/s1