1-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(1-benzyl-5-methoxy-2-methyl-indol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[5-methoxy-2-methyl-1-(phenylmethyl)-3-indolyl]-2-(4-phenyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(1-benzyl-5-methoxy-2-methyl-indol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Formula: C29H32N3O2+ MolecularWeight: 454.58328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)C(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)C(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O2/c1-22-29(28(33)21-30-15-17-31(18-16-30)24-11-7-4-8-12-24)26-19-25(34-2)13-14-27(26)32(22)20-23-9-5-3-6-10-23/h3-14,19H,15-18,20-21H2,1-2H3/p+1