(3S)-N-[(5-chloranylthiophen-2-yl)methyl]-1-(1-cyclopropylcarbonylpiperidin-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[(5-chloranylthiophen-2-yl)methyl]-1-(1-cyclopropylcarbonylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[(5-chloro-2-thienyl)methyl]-1-[1-(cyclopropanecarbonyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(5-chloro-2-thiophenyl)methyl]-1-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[(5-chloro-2-thienyl)methyl]-1-[1-(cyclopropanecarbonyl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C20H29ClN3O2S+ MolecularWeight: 410.98116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C(=O)C3CC3)C(=O)NCC4=CC=C(S4)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C(=O)C3CC3)C(=O)NCC4=CC=C(S4)Cl

InChI

InChI=1S/C20H28ClN3O2S/c21-18-6-5-17(27-18)12-22-19(25)15-2-1-9-24(13-15)16-7-10-23(11-8-16)20(26)14-3-4-14/h5-6,14-16H,1-4,7-13H2,(H,22,25)/p+1/t15-/m0/s1