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

Systemtic Name: 4-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile CAS Name: 4-[[4-[(4-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile Traditional Name: 4-[4-(4-ethoxybenzyl)piperazin-4-ium-1-carbonyl]benzonitrile Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3O2/c1-2-26-20-9-5-18(6-10-20)16-23-11-13-24(14-12-23)21(25)19-7-3-17(15-22)4-8-19/h3-10H,2,11-14,16H2,1H3/p+1