1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(2-methyl-3-propan-2-yl-indol-1-yl)ethanone

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(2-methyl-3-propan-2-yl-indol-1-yl)ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(3-isopropyl-2-methyl-indol-1-yl)ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(2-methyl-3-propan-2-yl-1-indolyl)ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-methyl-3-propan-2-ylindol-1-yl)ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(3-isopropyl-2-methyl-indol-1-yl)ethanone Formula: C31H36N3O+ MolecularWeight: 466.63704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(C)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(C)C

InChI

InChI=1S/C31H35N3O/c1-23(2)30-24(3)34(28-17-11-10-16-27(28)30)22-29(35)32-18-20-33(21-19-32)31(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-17,23,31H,18-22H2,1-3H3/p+1