4-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-ium-1-yl]methyl]benzamide

Systemtic Name: 4-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-ium-1-yl]methyl]benzamide Openeye Name: 4-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-ium-1-yl]methyl]benzamide CAS Name: 4-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-ium-1-yl]methyl]benzamide IUPAC Name: 4-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-ium-1-yl]methyl]benzamide Traditional Name: 4-[[4-(4-cyanobenzyl)-1,4-diazepan-1-ium-1-yl]methyl]benzamide Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)CC2=CC=C(C=C2)C#N)CC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1C[NH+](CCN(C1)CC2=CC=C(C=C2)C#N)CC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H24N4O/c22-14-17-2-4-18(5-3-17)15-24-10-1-11-25(13-12-24)16-19-6-8-20(9-7-19)21(23)26/h2-9H,1,10-13,15-16H2,(H2,23,26)/p+1