1-[1-(3,5-dimethylfuran-2-yl)carbonylpiperidin-4-yl]-N-propan-2-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-(3,5-dimethylfuran-2-yl)carbonylpiperidin-4-yl]-N-propan-2-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(3,5-dimethylfuran-2-carbonyl)-4-piperidyl]-N-isopropyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(3,5-dimethyl-2-furanyl)-oxomethyl]-4-piperidinyl]-N-propan-2-yl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(3,5-dimethylfuran-2-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(3,5-dimethyl-2-furoyl)-4-piperidyl]-N-isopropyl-piperidin-1-ium-4-carboxamide Formula: C21H34N3O3+ MolecularWeight: 376.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)NC(C)C)C

Isomeric SMILES

CC1=CC(=C(O1)C(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)NC(C)C)C

InChI

InChI=1S/C21H33N3O3/c1-14(2)22-20(25)17-5-9-23(10-6-17)18-7-11-24(12-8-18)21(26)19-15(3)13-16(4)27-19/h13-14,17-18H,5-12H2,1-4H3,(H,22,25)/p+1