N-cyclopropyl-1-[1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-cyclopropyl-1-[1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-cyclopropyl-1-[1-[(1-thiazol-2-ylpyrrol-2-yl)methyl]-4-piperidyl]piperidin-1-ium-4-carboxamide CAS Name: N-cyclopropyl-1-[1-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]-4-piperidinyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-cyclopropyl-1-[1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-cyclopropyl-1-[1-[(1-thiazol-2-ylpyrrol-2-yl)methyl]-4-piperidyl]piperidin-1-ium-4-carboxamide Formula: C22H32N5OS+ MolecularWeight: 414.58738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2CC[NH+](CC2)C3CCN(CC3)CC4=CC=CN4C5=NC=CS5

Isomeric SMILES

C1CC1NC(=O)C2CC[NH+](CC2)C3CCN(CC3)CC4=CC=CN4C5=NC=CS5

InChI

InChI=1S/C22H31N5OS/c28-21(24-18-3-4-18)17-5-13-26(14-6-17)19-7-11-25(12-8-19)16-20-2-1-10-27(20)22-23-9-15-29-22/h1-2,9-10,15,17-19H,3-8,11-14,16H2,(H,24,28)/p+1