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

Systemtic Name: N-(2-cyanoethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-(2-methoxyphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)acetamide Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N(CCC#N)C3=CC=CC=C3OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N(CCC#N)C3=CC=CC=C3OC)C

InChI

InChI=1S/C24H30N4O2/c1-19-8-6-10-21(20(19)2)27-16-14-26(15-17-27)18-24(29)28(13-7-12-25)22-9-4-5-11-23(22)30-3/h4-6,8-11H,7,13-18H2,1-3H3/p+1