3-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[1-[(4,5-dimethyl-2-furyl)methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[1-[(4,5-dimethyl-2-furanyl)methyl]-4-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[1-[(4,5-dimethyl-2-furyl)methyl]piperidin-1-ium-4-yl]-1-pyrrolidino-propan-1-one Formula: C19H31N2O2+ MolecularWeight: 319.46164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(OC(=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCCC3)C

InChI

InChI=1S/C19H30N2O2/c1-15-13-18(23-16(15)2)14-20-11-7-17(8-12-20)5-6-19(22)21-9-3-4-10-21/h13,17H,3-12,14H2,1-2H3/p+1