(4-ethylphenyl)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-ethylphenyl)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-ethylphenyl)-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-ethylphenyl)-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-ethylphenyl)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-ethylphenyl)-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C21H26N2O/c1-3-18-8-10-20(11-9-18)21(24)23-14-12-22(13-15-23)16-19-6-4-17(2)5-7-19/h4-11H,3,12-16H2,1-2H3/p+1