(3S)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-1-[oxo(thiophen-2-yl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-1-(2-thenoyl)nipecotamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2CCCN(C2)C(=O)C3=CC=CS3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=CS3)C4=CC=CO4

InChI

InChI=1S/C22H29N3O3S/c26-21(17-7-4-12-25(16-17)22(27)20-9-6-14-29-20)23-15-18(19-8-5-13-28-19)24-10-2-1-3-11-24/h5-6,8-9,13-14,17-18H,1-4,7,10-12,15-16H2,(H,23,26)/p+1/t17-,18-/m0/s1