1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(2-methylindol-1-yl)ethanone

Systemtic Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(2-methylindol-1-yl)ethanone Openeye Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(2-methylindol-1-yl)ethanone CAS Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(2-methyl-1-indolyl)ethanone IUPAC Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(2-methylindol-1-yl)ethanone Traditional Name: 2-(2-methylindol-1-yl)-1-(4-veratrylpiperazin-4-ium-1-yl)ethanone Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N1CC(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC2=CC=CC=C2N1CC(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H29N3O3/c1-18-14-20-6-4-5-7-21(20)27(18)17-24(28)26-12-10-25(11-13-26)16-19-8-9-22(29-2)23(15-19)30-3/h4-9,14-15H,10-13,16-17H2,1-3H3/p+1