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

Systemtic Name: [(3S)-2-oxidanylideneazepan-3-yl]-[1-[4-(2-phenoxyethanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: [(3S)-2-oxoazepan-3-yl]-[1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]ammonium CAS Name: [(3S)-2-oxo-3-azepanyl]-[1-[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: [(3S)-2-oxoazepan-3-yl]-[1-[4-[(2-phenoxyacetyl)amino]phenyl]piperidin-4-yl]azanium Traditional Name: [(3S)-2-ketoazepan-3-yl]-[1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]ammonium Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O3/c30-24(18-32-22-6-2-1-3-7-22)28-19-9-11-21(12-10-19)29-16-13-20(14-17-29)27-23-8-4-5-15-26-25(23)31/h1-3,6-7,9-12,20,23,27H,4-5,8,13-18H2,(H,26,31)(H,28,30)/p+1/t23-/m0/s1