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

Systemtic Name: (6-chloranylpyridin-3-yl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (6-chloro-3-pyridyl)-[4-(o-tolylmethyl)-1,4-diazepan-4-ium-1-yl]methanone CAS Name: (6-chloro-3-pyridinyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (6-chloropyridin-3-yl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: (6-chloro-3-pyridyl)-[4-(2-methylbenzyl)-1,4-diazepan-4-ium-1-yl]methanone Formula: C19H23ClN3O+ MolecularWeight: 344.85842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O/c1-15-5-2-3-6-17(15)14-22-9-4-10-23(12-11-22)19(24)16-7-8-18(20)21-13-16/h2-3,5-8,13H,4,9-12,14H2,1H3/p+1