3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-1H-indole-7-carboxylate

Systemtic Name: 3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-1H-indole-7-carboxylate Openeye Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-1H-indole-7-carboxylate CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-1H-indole-7-carboxylate IUPAC Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-1H-indole-7-carboxylate Traditional Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-1H-indole-7-carboxylate Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CNC3=C2C=CC=C3C(=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CNC3=C2C=CC=C3C(=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2/c31-27(32)24-13-7-12-23-22(18-28-25(23)24)19-29-14-16-30(17-15-29)26(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,26,28H,14-17,19H2,(H,31,32)