(3S)-N-cyclopropyl-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[3-(2-thienyl)propanoyl]-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-(1-oxo-3-thiophen-2-ylpropyl)-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-[3-(2-thienyl)propanoyl]-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C(=O)CCC3=CC=CS3)C(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C(=O)CCC3=CC=CS3)C(=O)NC4CC4

InChI

InChI=1S/C21H31N3O2S/c25-20(8-7-19-4-2-14-27-19)23-12-9-18(10-13-23)24-11-1-3-16(15-24)21(26)22-17-5-6-17/h2,4,14,16-18H,1,3,5-13,15H2,(H,22,26)/p+1/t16-/m0/s1