1-propan-2-yl-4-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]-1,4-diazepan-4-ium

Systemtic Name: 1-propan-2-yl-4-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]-1,4-diazepan-4-ium Openeye Name: 1-isopropyl-4-[1-[3-(1H-pyrazol-5-yl)phenyl]-4-piperidyl]-1,4-diazepan-4-ium CAS Name: 1-propan-2-yl-4-[1-[3-(1H-pyrazol-5-yl)phenyl]-4-piperidinyl]-1,4-diazepan-4-ium IUPAC Name: 1-propan-2-yl-4-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]-1,4-diazepan-4-ium Traditional Name: 1-isopropyl-4-[1-[3-(1H-pyrazol-5-yl)phenyl]-4-piperidyl]-1,4-diazepan-4-ium Formula: C22H34N5+ MolecularWeight: 368.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC[NH+](CC1)C2CCN(CC2)C3=CC=CC(=C3)C4=CC=NN4

Isomeric SMILES

CC(C)N1CCC[NH+](CC1)C2CCN(CC2)C3=CC=CC(=C3)C4=CC=NN4

InChI

InChI=1S/C22H33N5/c1-18(2)25-11-4-12-26(16-15-25)20-8-13-27(14-9-20)21-6-3-5-19(17-21)22-7-10-23-24-22/h3,5-7,10,17-18,20H,4,8-9,11-16H2,1-2H3,(H,23,24)/p+1