1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanone Formula: C24H30N3O2S+ MolecularWeight: 424.5789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H29N3O2S/c1-18-15-23(19(2)27(18)16-22-5-4-14-30-22)24(28)17-25-10-12-26(13-11-25)20-6-8-21(29-3)9-7-20/h4-9,14-15H,10-13,16-17H2,1-3H3/p+1