(4-methoxycarbonyl-2-methyl-phenyl)-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (4-methoxycarbonyl-2-methyl-phenyl)-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium Openeye Name: (4-methoxycarbonyl-2-methyl-phenyl)-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]ammonium CAS Name: (4-methoxycarbonyl-2-methylphenyl)-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]ammonium IUPAC Name: (4-methoxycarbonyl-2-methylphenyl)-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium Traditional Name: (4-carbomethoxy-2-methyl-phenyl)-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]ammonium Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)[NH2+]CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)[NH2+]CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H23N3O4S/c1-14-12-15(20(26)27-2)5-6-16(14)21-13-18(24)22-7-9-23(10-8-22)19(25)17-4-3-11-28-17/h3-6,11-12,21H,7-10,13H2,1-2H3/p+1