1-(2,3-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-(4-phenylbenzyl)piperazin-4-ium Formula: C25H29N2+ MolecularWeight: 357.51116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N2/c1-20-7-6-10-25(21(20)2)27-17-15-26(16-18-27)19-22-11-13-24(14-12-22)23-8-4-3-5-9-23/h3-14H,15-19H2,1-2H3/p+1