1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-5-one

Systemtic Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Openeye Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-5-one CAS Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-[2-(1-piperidin-1-iumyl)ethyl]-1,4-diazepan-5-one IUPAC Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Traditional Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Formula: C22H32N5O+ MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2CCN(CCC2=O)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCN2CCN(CCC2=O)CC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H31N5O/c28-21-9-12-26(14-16-27(21)15-13-25-10-5-2-6-11-25)18-20-17-23-24-22(20)19-7-3-1-4-8-19/h1,3-4,7-8,17H,2,5-6,9-16,18H2,(H,23,24)/p+1