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

Systemtic Name: [(3S)-2-oxidanylideneazepan-3-yl]-[1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]azanium Openeye Name: [(3S)-2-oxoazepan-3-yl]-[1-[4-(3-pyridylmethylcarbamoyl)phenyl]-4-piperidyl]ammonium CAS Name: [(3S)-2-oxo-3-azepanyl]-[1-[4-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: [(3S)-2-oxoazepan-3-yl]-[1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]azanium Traditional Name: [(3S)-2-ketoazepan-3-yl]-[1-[4-(3-pyridylmethylcarbamoyl)phenyl]-4-piperidyl]ammonium Formula: C24H32N5O2+ MolecularWeight: 422.54318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C24H31N5O2/c30-23(27-17-18-4-3-12-25-16-18)19-6-8-21(9-7-19)29-14-10-20(11-15-29)28-22-5-1-2-13-26-24(22)31/h3-4,6-9,12,16,20,22,28H,1-2,5,10-11,13-15,17H2,(H,26,31)(H,27,30)/p+1/t22-/m0/s1