3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 3-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]benzonitrile Traditional Name: 3-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]benzonitrile Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H21N3O2/c21-16-17-5-4-6-18(15-17)20(24)23-11-9-22(10-12-23)13-14-25-19-7-2-1-3-8-19/h1-8,15H,9-14H2/p+1