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

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,4,5-trimethoxyphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,4,5-trimethoxyphenyl)methanone Formula: C27H31N2O4+ MolecularWeight: 447.54604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4/c1-31-23-18-22(19-24(32-2)26(23)33-3)27(30)29-16-14-28(15-17-29)25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19,25H,14-17H2,1-3H3/p+1