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

Systemtic Name: [(3S)-2-oxidanylideneazepan-3-yl]-[1-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]piperidin-4-yl]azanium Openeye Name: [(3S)-2-oxoazepan-3-yl]-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-piperidyl]ammonium CAS Name: [(3S)-2-oxo-3-azepanyl]-[1-[3-(2-oxo-1-pyrrolidinyl)phenyl]-4-piperidinyl]ammonium IUPAC Name: [(3S)-2-oxoazepan-3-yl]-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidin-4-yl]azanium Traditional Name: [(3S)-2-ketoazepan-3-yl]-[1-[3-(2-ketopyrrolidino)phenyl]-4-piperidyl]ammonium Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)[NH2+]C2CCN(CC2)C3=CC=CC(=C3)N4CCCC4=O

Isomeric SMILES

C1CCNC(=O)[C@H](C1)[NH2+]C2CCN(CC2)C3=CC=CC(=C3)N4CCCC4=O

InChI

InChI=1S/C21H30N4O2/c26-20-8-4-12-25(20)18-6-3-5-17(15-18)24-13-9-16(10-14-24)23-19-7-1-2-11-22-21(19)27/h3,5-6,15-16,19,23H,1-2,4,7-14H2,(H,22,27)/p+1/t19-/m0/s1