1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-(1H-indol-3-yl)propan-1-one

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-(1H-indol-3-yl)propan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-(1H-indol-3-yl)-1-propanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one Formula: C28H30N3O+ MolecularWeight: 424.5573

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C28H29N3O/c32-27(16-15-24-21-29-26-14-8-7-13-25(24)26)30-17-19-31(20-18-30)28(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,21,28-29H,15-20H2/p+1