4-[(2-methylphenyl)methyl]-1-[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbonyl-1,4-diazepan-5-one

Systemtic Name: 4-[(2-methylphenyl)methyl]-1-[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbonyl-1,4-diazepan-5-one Openeye Name: 4-(o-tolylmethyl)-1-[4-(piperidin-1-ium-1-ylmethyl)benzoyl]-1,4-diazepan-5-one CAS Name: 4-[(2-methylphenyl)methyl]-1-[oxo-[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-1,4-diazepan-5-one IUPAC Name: 4-[(2-methylphenyl)methyl]-1-[4-(piperidin-1-ium-1-ylmethyl)benzoyl]-1,4-diazepan-5-one Traditional Name: 4-(2-methylbenzyl)-1-[4-(piperidin-1-ium-1-ylmethyl)benzoyl]-1,4-diazepan-5-one Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CCC2=O)C(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CCC2=O)C(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C26H33N3O2/c1-21-7-3-4-8-24(21)20-29-18-17-28(16-13-25(29)30)26(31)23-11-9-22(10-12-23)19-27-14-5-2-6-15-27/h3-4,7-12H,2,5-6,13-20H2,1H3/p+1