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

Systemtic Name: [1-[3-(2-cyclopentylethanoylamino)phenyl]piperidin-4-yl]-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: [1-[3-[(2-cyclopentylacetyl)amino]phenyl]-4-piperidyl]-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: [1-[3-[(2-cyclopentyl-1-oxoethyl)amino]phenyl]-4-piperidinyl]-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: [1-[3-[(2-cyclopentylacetyl)amino]phenyl]piperidin-4-yl]-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: [1-[3-[(2-cyclopentylacetyl)amino]phenyl]-4-piperidyl]-[(3S)-2-ketoazepan-3-yl]ammonium Formula: C24H37N4O2+ MolecularWeight: 413.57618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH2+]C4CCCCNC4=O

Isomeric SMILES

C1CCNC(=O)[C@H](C1)[NH2+]C2CCN(CC2)C3=CC(=CC=C3)NC(=O)CC4CCCC4

InChI

InChI=1S/C24H36N4O2/c29-23(16-18-6-1-2-7-18)27-20-8-5-9-21(17-20)28-14-11-19(12-15-28)26-22-10-3-4-13-25-24(22)30/h5,8-9,17-19,22,26H,1-4,6-7,10-16H2,(H,25,30)(H,27,29)/p+1/t22-/m0/s1