(3,4-dimethoxyphenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H27N2O3+ MolecularWeight: 355.45068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-16-5-4-6-17(13-16)15-22-9-11-23(12-10-22)21(24)18-7-8-19(25-2)20(14-18)26-3/h4-8,13-14H,9-12,15H2,1-3H3/p+1