methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium

Systemtic Name: methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium Openeye Name: methyl-[2-(4-methylanilino)-2-oxo-ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]ammonium CAS Name: methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]ammonium IUPAC Name: methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium Traditional Name: [2-keto-2-(p-toluidino)ethyl]-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-methyl-ammonium Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H26N4O3S/c1-16-5-7-17(8-6-16)22-19(26)14-23(2)15-20(27)24-9-11-25(12-10-24)21(28)18-4-3-13-29-18/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,26)/p+1