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

Systemtic Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile CAS Name: 4-[[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile Traditional Name: 4-(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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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