N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCC#N)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCC#N)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O)C

InChI

InChI=1S/C23H28N4O2/c1-18-4-5-21(16-19(18)2)27(11-3-10-24)23(29)17-25-12-14-26(15-13-25)20-6-8-22(28)9-7-20/h4-9,16,28H,3,11-15,17H2,1-2H3/p+1