1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(o-tolylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(2-methylbenzyl)-1,4-diazepan-1-ium-5-one Formula: C19H26ClN4O+ MolecularWeight: 361.88894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CCC2=O)CC3=C(N(N=C3C)C)Cl

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](CCC2=O)CC3=C(N(N=C3C)C)Cl

InChI

InChI=1S/C19H25ClN4O/c1-14-6-4-5-7-16(14)12-24-11-10-23(9-8-18(24)25)13-17-15(2)21-22(3)19(17)20/h4-7H,8-13H2,1-3H3/p+1