(3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[(4,5-dimethylthiazol-2-yl)methyl]-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(4,5-dimethyl-2-thiazolyl)methyl]-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[(4,5-dimethylthiazol-2-yl)methyl]-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C20H36N4OS+2 MolecularWeight: 380.59104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CNC(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)C(C)C)C

Isomeric SMILES

CC1=C(SC(=N1)CNC(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)C(C)C)C

InChI

InChI=1S/C20H34N4OS/c1-14(2)23-10-7-18(8-11-23)24-9-5-6-17(13-24)20(25)21-12-19-22-15(3)16(4)26-19/h14,17-18H,5-13H2,1-4H3,(H,21,25)/p+2/t17-/m0/s1