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

Systemtic Name: N-(3-chlorophenyl)-3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-4-ium-1-yl]propanamide Openeye Name: N-(3-chlorophenyl)-3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-4-ium-1-yl]propanamide CAS Name: N-(3-chlorophenyl)-3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-4-ium-1-yl]propanamide IUPAC Name: N-(3-chlorophenyl)-3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-4-ium-1-yl]propanamide Traditional Name: N-(3-chlorophenyl)-3-[4-(4-cyanobenzyl)-1,4-diazepan-4-ium-1-yl]propionamide Formula: C22H26ClN4O+ MolecularWeight: 397.92104

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)CCC(=O)NC2=CC(=CC=C2)Cl)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[NH+](CCN(C1)CCC(=O)NC2=CC(=CC=C2)Cl)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25ClN4O/c23-20-3-1-4-21(15-20)25-22(28)9-12-26-10-2-11-27(14-13-26)17-19-7-5-18(16-24)6-8-19/h1,3-8,15H,2,9-14,17H2,(H,25,28)/p+1