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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-22-20(27)17-7-5-16(6-8-17)14-23(2)15-19(26)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,22,27)/p+1