methyl 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: methyl 4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)benzoate CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)benzoate Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)benzoic acid methyl ester Formula: C26H27N2O3+ MolecularWeight: 415.50418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O3/c1-31-26(30)23-14-12-22(13-15-23)25(29)28-18-16-27(17-19-28)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,24H,16-19H2,1H3/p+1