(3,5-dimethylphenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,5-dimethylphenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,5-dimethylphenyl)methanone CAS Name: (3,5-dimethylphenyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,5-dimethylphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,5-dimethylphenyl)methanone Formula: C26H29N2O+ MolecularWeight: 385.52126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O/c1-20-17-21(2)19-24(18-20)26(29)28-15-13-27(14-16-28)25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,17-19,25H,13-16H2,1-2H3/p+1