N-(2-cyanoethyl)-2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-1-ium-1-yl]acetamide Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CC[NH+](CC2)CC(=O)NCCC#N)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CC[NH+](CC2)CC(=O)NCCC#N)OC)OC

InChI

InChI=1S/C19H28N4O3/c1-15-11-17(25-2)18(26-3)12-16(15)13-22-7-9-23(10-8-22)14-19(24)21-6-4-5-20/h11-12H,4,6-10,13-14H2,1-3H3,(H,21,24)/p+1