N-(3-cyanophenyl)-2-piperazin-4-ium-1-yl-benzamide

Systemtic Name: N-(3-cyanophenyl)-2-piperazin-4-ium-1-yl-benzamide Openeye Name: N-(3-cyanophenyl)-2-piperazin-4-ium-1-yl-benzamide CAS Name: N-(3-cyanophenyl)-2-(1-piperazin-4-iumyl)benzamide IUPAC Name: N-(3-cyanophenyl)-2-piperazin-4-ium-1-ylbenzamide Traditional Name: N-(3-cyanophenyl)-2-piperazin-4-ium-1-yl-benzamide Formula: C18H19N4O+ MolecularWeight: 307.36966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H18N4O/c19-13-14-4-3-5-15(12-14)21-18(23)16-6-1-2-7-17(16)22-10-8-20-9-11-22/h1-7,12,20H,8-11H2,(H,21,23)/p+1