1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[(1,3-diphenyl-4-pyrazolyl)methyl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CC[NH+](CCC1=O)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COCCN1CC[NH+](CCC1=O)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2/c1-30-17-16-27-15-14-26(13-12-23(27)29)18-21-19-28(22-10-6-3-7-11-22)25-24(21)20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3/p+1