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

Systemtic Name: 6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide Openeye Name: 6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]-N-[(4-ethylthiazol-2-yl)methyl]pyridine-3-carboxamide CAS Name: 6-[(3S)-3-ethyl-4-methyl-1-piperazin-4-iumyl]-N-[(4-ethyl-2-thiazolyl)methyl]-3-pyridinecarboxamide IUPAC Name: 6-[(3S)-3-ethyl-4-methylpiperazin-4-ium-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide Traditional Name: 6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]-N-[(4-ethylthiazol-2-yl)methyl]nicotinamide Formula: C19H28N5OS+ MolecularWeight: 374.52352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C)C2=NC=C(C=C2)C(=O)NCC3=NC(=CS3)CC

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C)C2=NC=C(C=C2)C(=O)NCC3=NC(=CS3)CC

InChI

InChI=1S/C19H27N5OS/c1-4-15-13-26-18(22-15)11-21-19(25)14-6-7-17(20-10-14)24-9-8-23(3)16(5-2)12-24/h6-7,10,13,16H,4-5,8-9,11-12H2,1-3H3,(H,21,25)/p+1/t16-/m0/s1