[(3S)-2-oxidanylideneazepan-3-yl]-[1-(4-phenylphenyl)piperidin-4-yl]azanium

Systemtic Name: [(3S)-2-oxidanylideneazepan-3-yl]-[1-(4-phenylphenyl)piperidin-4-yl]azanium Openeye Name: [(3S)-2-oxoazepan-3-yl]-[1-(4-phenylphenyl)-4-piperidyl]ammonium CAS Name: [(3S)-2-oxo-3-azepanyl]-[1-(4-phenylphenyl)-4-piperidinyl]ammonium IUPAC Name: [(3S)-2-oxoazepan-3-yl]-[1-(4-phenylphenyl)piperidin-4-yl]azanium Traditional Name: [(3S)-2-ketoazepan-3-yl]-[1-(4-phenylphenyl)-4-piperidyl]ammonium Formula: C23H30N3O+ MolecularWeight: 364.5038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O/c27-23-22(8-4-5-15-24-23)25-20-13-16-26(17-14-20)21-11-9-19(10-12-21)18-6-2-1-3-7-18/h1-3,6-7,9-12,20,22,25H,4-5,8,13-17H2,(H,24,27)/p+1/t22-/m0/s1