N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(diphenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(diphenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzhydryl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(diphenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzhydryl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-benzhydryl-N-homoveratryl-piperazin-4-ium-1-carboxamide Formula: C28H34N3O3+ MolecularWeight: 460.58786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O3/c1-33-25-14-13-22(21-26(25)34-2)15-16-29-28(32)31-19-17-30(18-20-31)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,21,27H,15-20H2,1-2H3,(H,29,32)/p+1