6-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-2-propyl-pyridazin-3-one

Systemtic Name: 6-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-2-propyl-pyridazin-3-one Openeye Name: 6-[4-(o-tolylmethyl)-1,4-diazepan-4-ium-1-carbonyl]-2-propyl-pyridazin-3-one CAS Name: 6-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-oxomethyl]-2-propyl-3-pyridazinone IUPAC Name: 6-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]-2-propylpyridazin-3-one Traditional Name: 6-[4-(2-methylbenzyl)-1,4-diazepan-4-ium-1-carbonyl]-2-propyl-pyridazin-3-one Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3C

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C21H28N4O2/c1-3-11-25-20(26)10-9-19(22-25)21(27)24-13-6-12-23(14-15-24)16-18-8-5-4-7-17(18)2/h4-5,7-10H,3,6,11-16H2,1-2H3/p+1