methyl 5-aminocarbonyl-4-methyl-2-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-aminocarbonyl-4-methyl-2-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-4-methyl-2-[[2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-4-methyl-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C25H29N4O4S+ MolecularWeight: 481.58716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC4=CC=CC=C43)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC4=CC=CC=C43)C(=O)N

InChI

InChI=1S/C25H28N4O4S/c1-16-21(25(32)33-2)24(34-22(16)23(26)31)27-20(30)15-29-12-10-28(11-13-29)14-18-8-5-7-17-6-3-4-9-19(17)18/h3-9H,10-15H2,1-2H3,(H2,26,31)(H,27,30)/p+1