2-[(2-methoxyphenyl)amino]-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(2-methoxyphenyl)amino]-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(2-methoxyanilino)-1-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(2-methoxyanilino)-1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(2-methoxyanilino)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(o-anisidino)-1-[4-(2-thenyl)piperazin-4-ium-1-yl]ethanone Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NCC(=O)N2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

COC1=CC=CC=C1NCC(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C18H23N3O2S/c1-23-17-7-3-2-6-16(17)19-13-18(22)21-10-8-20(9-11-21)14-15-5-4-12-24-15/h2-7,12,19H,8-11,13-14H2,1H3/p+1