6-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide

Systemtic Name: 6-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide Openeye Name: 6-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-N-[(4-ethylthiazol-2-yl)methyl]pyridine-3-carboxamide CAS Name: 6-[(3S)-3,4-dimethyl-1-piperazin-4-iumyl]-N-[(4-ethyl-2-thiazolyl)methyl]-3-pyridinecarboxamide IUPAC Name: 6-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide Traditional Name: 6-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-N-[(4-ethylthiazol-2-yl)methyl]nicotinamide Formula: C18H26N5OS+ MolecularWeight: 360.49694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CSC(=N1)CNC(=O)C2=CN=C(C=C2)N3CC[NH+](C(C3)C)C

Isomeric SMILES

CCC1=CSC(=N1)CNC(=O)C2=CN=C(C=C2)N3CC[NH+]([C@H](C3)C)C

InChI

InChI=1S/C18H25N5OS/c1-4-15-12-25-17(21-15)10-20-18(24)14-5-6-16(19-9-14)23-8-7-22(3)13(2)11-23/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3,(H,20,24)/p+1/t13-/m0/s1