1-(1-benzamidoazepan-1-ium-1-yl)propan-2-olate

Systemtic Name: 1-(1-benzamidoazepan-1-ium-1-yl)propan-2-olate Openeye Name: 1-(1-benzamidoazepan-1-ium-1-yl)propan-2-olate CAS Name: 1-(1-benzamido-1-azepan-1-iumyl)-2-propanolate IUPAC Name: 1-(1-benzamidoazepan-1-ium-1-yl)propan-2-olate Traditional Name: 1-(1-benzamidoazepan-1-ium-1-yl)propan-2-olate Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1(CCCCCC1)NC(=O)C2=CC=CC=C2)[O-]

Isomeric SMILES

CC(C[N+]1(CCCCCC1)NC(=O)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C16H24N2O2/c1-14(19)13-18(11-7-2-3-8-12-18)17-16(20)15-9-5-4-6-10-15/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3,(H,17,20)