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

Systemtic Name: [(3S)-2-oxidanylideneazepan-3-yl]-[1-[3-(pyridin-4-ylcarbonylamino)phenyl]piperidin-4-yl]azanium Openeye Name: [(3S)-2-oxoazepan-3-yl]-[1-[3-(pyridine-4-carbonylamino)phenyl]-4-piperidyl]ammonium CAS Name: [(3S)-2-oxo-3-azepanyl]-[1-[3-[[oxo(pyridin-4-yl)methyl]amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: [(3S)-2-oxoazepan-3-yl]-[1-[3-(pyridine-4-carbonylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [1-(3-isonicotinamidophenyl)-4-piperidyl]-[(3S)-2-ketoazepan-3-yl]ammonium Formula: C23H30N5O2+ MolecularWeight: 408.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O2/c29-22(17-7-12-24-13-8-17)27-19-4-3-5-20(16-19)28-14-9-18(10-15-28)26-21-6-1-2-11-25-23(21)30/h3-5,7-8,12-13,16,18,21,26H,1-2,6,9-11,14-15H2,(H,25,30)(H,27,29)/p+1/t21-/m0/s1