(2,3-dimethoxyphenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2,3-dimethoxyphenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2,3-dimethoxyphenyl)methanone CAS Name: (2,3-dimethoxyphenyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2,3-dimethoxyphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2,3-dimethoxyphenyl)methanone Formula: C26H29N2O3+ MolecularWeight: 417.52006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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