1-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-benzyl-5-methoxy-2-methyl-indol-3-yl)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-[5-methoxy-2-methyl-1-(phenylmethyl)-3-indolyl]-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1-benzyl-5-methoxy-2-methyl-indol-3-yl)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]ethanone Formula: C32H36N3O2+ MolecularWeight: 494.64714

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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)CC=CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C32H35N3O2/c1-25-32(29-22-28(37-2)15-16-30(29)35(25)23-27-12-7-4-8-13-27)31(36)24-34-20-18-33(19-21-34)17-9-14-26-10-5-3-6-11-26/h3-16,22H,17-21,23-24H2,1-2H3/p+1/b14-9+