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

Systemtic Name: (3S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-isopropyl-4-piperidyl)-N-[2-(4-methylthiazol-5-yl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(4-methyl-5-thiazolyl)ethyl]-1-(1-propan-2-yl-4-piperidinyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-isopropyl-4-piperidyl)-N-[2-(4-methylthiazol-5-yl)ethyl]piperidin-1-ium-3-carboxamide Formula: C20H35N4OS+ MolecularWeight: 379.5831

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCNC(=O)C2CCC[NH+](C2)C3CCN(CC3)C(C)C

Isomeric SMILES

CC1=C(SC=N1)CCNC(=O)[C@H]2CCC[NH+](C2)C3CCN(CC3)C(C)C

InChI

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