(3-bromophenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: (3-bromophenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (3-bromophenyl)-[4-(o-tolylmethyl)-1,4-diazepan-4-ium-1-yl]methanone CAS Name: (3-bromophenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (3-bromophenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: (3-bromophenyl)-[4-(2-methylbenzyl)-1,4-diazepan-4-ium-1-yl]methanone Formula: C20H24BrN2O+ MolecularWeight: 388.32136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCN(CC2)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCCN(CC2)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H23BrN2O/c1-16-6-2-3-7-18(16)15-22-10-5-11-23(13-12-22)20(24)17-8-4-9-19(21)14-17/h2-4,6-9,14H,5,10-13,15H2,1H3/p+1