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

Systemtic Name: propan-2-yl 5-aminocarbonyl-4-methyl-2-[2-[4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: isopropyl 5-carbamoyl-4-methyl-2-[[2-[4-(p-tolylmethyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-[4-[(4-methylphenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-carbamoyl-4-methyl-2-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-[4-(4-methylbenzyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C24H33N4O4S+ MolecularWeight: 473.60822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2)CC(=O)NC3=C(C(=C(S3)C(=O)N)C)C(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](CC2)CC(=O)NC3=C(C(=C(S3)C(=O)N)C)C(=O)OC(C)C

InChI

InChI=1S/C24H32N4O4S/c1-15(2)32-24(31)20-17(4)21(22(25)30)33-23(20)26-19(29)14-28-11-9-27(10-12-28)13-18-7-5-16(3)6-8-18/h5-8,15H,9-14H2,1-4H3,(H2,25,30)(H,26,29)/p+1