(3S)-1-(1-cyclopropylcarbonylpiperidin-4-yl)-N-(thiophen-3-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1-cyclopropylcarbonylpiperidin-4-yl)-N-(thiophen-3-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(cyclopropanecarbonyl)-4-piperidyl]-N-(3-thienylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]-N-(3-thiophenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(thiophen-3-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(cyclopropanecarbonyl)-4-piperidyl]-N-(3-thenyl)piperidin-1-ium-3-carboxamide Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C(=O)C3CC3)C(=O)NCC4=CSC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C(=O)C3CC3)C(=O)NCC4=CSC=C4

InChI

InChI=1S/C20H29N3O2S/c24-19(21-12-15-7-11-26-14-15)17-2-1-8-23(13-17)18-5-9-22(10-6-18)20(25)16-3-4-16/h7,11,14,16-18H,1-6,8-10,12-13H2,(H,21,24)/p+1/t17-/m0/s1