N-[(2S)-1-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-methyl-2-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]amino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]amino]ethyl]thiophene-2-carboxamide Formula: C18H24N5O2S+ MolecularWeight: 374.48046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CN=C(C=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NC1=CN=C(C=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H23N5O2S/c1-13(20-18(25)15-4-3-11-26-15)17(24)21-14-5-6-16(19-12-14)23-9-7-22(2)8-10-23/h3-6,11-13H,7-10H2,1-2H3,(H,20,25)(H,21,24)/p+1/t13-/m0/s1