1-[1-[5-(methylsulfanylmethyl)furan-2-yl]carbonylpiperidin-4-yl]-N-propan-2-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[5-(methylsulfanylmethyl)furan-2-yl]carbonylpiperidin-4-yl]-N-propan-2-yl-piperidin-1-ium-4-carboxamide Openeye Name: N-isopropyl-1-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]-4-piperidyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[[5-[(methylthio)methyl]-2-furanyl]-oxomethyl]-4-piperidinyl]-N-propan-2-yl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidin-1-ium-4-carboxamide Traditional Name: N-isopropyl-1-[1-[5-[(methylthio)methyl]-2-furoyl]-4-piperidyl]piperidin-1-ium-4-carboxamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=CC=C(O3)CSC

Isomeric SMILES

CC(C)NC(=O)C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=CC=C(O3)CSC

InChI

InChI=1S/C21H33N3O3S/c1-15(2)22-20(25)16-6-10-23(11-7-16)17-8-12-24(13-9-17)21(26)19-5-4-18(27-19)14-28-3/h4-5,15-17H,6-14H2,1-3H3,(H,22,25)/p+1