2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-1-(5-methoxy-1,2-dimethyl-indol-3-yl)ethanone

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-1-(5-methoxy-1,2-dimethyl-indol-3-yl)ethanone Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(5-methoxy-1,2-dimethyl-indol-3-yl)ethanone CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-1-(5-methoxy-1,2-dimethyl-3-indolyl)ethanone IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(5-methoxy-1,2-dimethyl-indol-3-yl)ethanone Formula: C30H34N3O2+ MolecularWeight: 468.60986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H33N3O2/c1-22-29(26-20-25(35-3)14-15-27(26)31(22)2)28(34)21-32-16-18-33(19-17-32)30(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,20,30H,16-19,21H2,1-3H3/p+1