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

Systemtic Name: (3,5-dimethoxyphenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,5-dimethoxyphenyl)methanone CAS Name: (3,5-dimethoxyphenyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,5-dimethoxyphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,5-dimethoxyphenyl)methanone Formula: C26H29N2O3+ MolecularWeight: 417.52006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H28N2O3/c1-30-23-17-22(18-24(19-23)31-2)26(29)28-15-13-27(14-16-28)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,17-19,25H,13-16H2,1-2H3/p+1