2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(o-tolylmethyl)-1,4-diazepan-4-ium-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-(2-methylbenzyl)-1,4-diazepan-4-ium-1-yl]-N-phenethyl-acetamide Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O/c1-20-8-5-6-11-22(20)18-25-14-7-15-26(17-16-25)19-23(27)24-13-12-21-9-3-2-4-10-21/h2-6,8-11H,7,12-19H2,1H3,(H,24,27)/p+1