methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium

Systemtic Name: methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium Openeye Name: methyl-[(2-morpholinophenyl)methyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]ammonium CAS Name: methyl-[[2-(4-morpholinyl)phenyl]methyl]-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]ammonium IUPAC Name: methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium Traditional Name: [2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-methyl-(2-morpholinobenzyl)ammonium Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCOCC2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCOCC2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H30N4O3S/c1-24(17-19-5-2-3-6-20(19)25-12-14-30-15-13-25)18-22(28)26-8-10-27(11-9-26)23(29)21-7-4-16-31-21/h2-7,16H,8-15,17-18H2,1H3/p+1