N-(2-chlorophenyl)-3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]propanamide

Systemtic Name: N-(2-chlorophenyl)-3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]propanamide Openeye Name: N-(2-chlorophenyl)-3-[4-(o-tolylmethyl)-1,4-diazepan-4-ium-1-yl]propanamide CAS Name: N-(2-chlorophenyl)-3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]propanamide IUPAC Name: N-(2-chlorophenyl)-3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]propanamide Traditional Name: N-(2-chlorophenyl)-3-[4-(2-methylbenzyl)-1,4-diazepan-4-ium-1-yl]propionamide Formula: C22H29ClN3O+ MolecularWeight: 386.93816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCN(CC2)CCC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCCN(CC2)CCC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C22H28ClN3O/c1-18-7-2-3-8-19(18)17-26-13-6-12-25(15-16-26)14-11-22(27)24-21-10-5-4-9-20(21)23/h2-5,7-10H,6,11-17H2,1H3,(H,24,27)/p+1