N-(2-cyanophenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propanamide

Systemtic Name: N-(2-cyanophenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propanamide Openeye Name: N-(2-cyanophenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propanamide CAS Name: N-(2-cyanophenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propanamide IUPAC Name: N-(2-cyanophenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propanamide Traditional Name: N-(2-cyanophenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propionamide Formula: C16H23N4O+ MolecularWeight: 287.38002

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CCC(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

C[NH+]1CCCN(CC1)CCC(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C16H22N4O/c1-19-8-4-9-20(12-11-19)10-7-16(21)18-15-6-3-2-5-14(15)13-17/h2-3,5-6H,4,7-12H2,1H3,(H,18,21)/p+1