4-piperidin-1-ium-1-yl-1-(2-pyrrolidin-1-yl-6-thiophen-2-yl-pyridin-3-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: 4-piperidin-1-ium-1-yl-1-(2-pyrrolidin-1-yl-6-thiophen-2-yl-pyridin-3-yl)carbonyl-piperidine-4-carboxamide Openeye Name: 4-piperidin-1-ium-1-yl-1-[2-pyrrolidin-1-yl-6-(2-thienyl)pyridine-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[oxo-[2-(1-pyrrolidinyl)-6-thiophen-2-yl-3-pyridinyl]methyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 4-piperidin-1-ium-1-yl-1-(2-pyrrolidin-1-yl-6-thiophen-2-ylpyridine-3-carbonyl)piperidine-4-carboxamide Traditional Name: 4-piperidin-1-ium-1-yl-1-[2-pyrrolidino-6-(2-thienyl)nicotinoyl]isonipecotamide Formula: C25H34N5O2S+ MolecularWeight: 468.63476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=C(N=C(C=C3)C4=CC=CS4)N5CCCC5)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=C(N=C(C=C3)C4=CC=CS4)N5CCCC5)C(=O)N

InChI

InChI=1S/C25H33N5O2S/c26-24(32)25(30-14-2-1-3-15-30)10-16-29(17-11-25)23(31)19-8-9-20(21-7-6-18-33-21)27-22(19)28-12-4-5-13-28/h6-9,18H,1-5,10-17H2,(H2,26,32)/p+1