N-[3-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4,5-dimethyl-thiophen-2-yl]-4-methoxy-benzamide

Systemtic Name: N-[3-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4,5-dimethyl-thiophen-2-yl]-4-methoxy-benzamide Openeye Name: N-[3-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4,5-dimethyl-2-thienyl]-4-methoxy-benzamide CAS Name: N-[3-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-4,5-dimethyl-2-thiophenyl]-4-methoxybenzamide IUPAC Name: N-[3-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide Traditional Name: N-[3-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4,5-dimethyl-2-thienyl]-4-methoxy-benzamide Formula: C21H31N3O3S+2 MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C[NH+]2CC[NH+](CC2)CCO)NC(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(SC(=C1C[NH+]2CC[NH+](CC2)CCO)NC(=O)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H29N3O3S/c1-15-16(2)28-21(22-20(26)17-4-6-18(27-3)7-5-17)19(15)14-24-10-8-23(9-11-24)12-13-25/h4-7,25H,8-14H2,1-3H3,(H,22,26)/p+2