3-[(3R)-1-(3,5-dimethylfuran-2-yl)carbonylpiperidin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-(3,5-dimethylfuran-2-yl)carbonylpiperidin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)-3-piperidyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(3,5-dimethyl-2-furanyl)-oxomethyl]-3-piperidinyl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(3,5-dimethyl-2-furoyl)-3-piperidyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C(=O)N2CCCC(C2)CCC(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=C(O1)C(=O)N2CCC[C@@H](C2)CCC(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H31N3O3/c1-15-13-16(2)26-19(15)20(25)23-8-4-5-17(14-23)6-7-18(24)22-11-9-21(3)10-12-22/h13,17H,4-12,14H2,1-3H3/p+1/t17-/m1/s1