3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H21N3O2/c1-25-19-7-5-16(6-8-19)15-22-9-11-23(12-10-22)20(24)18-4-2-3-17(13-18)14-21/h2-8,13H,9-12,15H2,1H3/p+1