2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-3-(furan-2-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-3-(furan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-3-(2-furylmethyl)quinazolin-4-one CAS Name: 2-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-3-(2-furanylmethyl)-4-quinazolinone IUPAC Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-3-(furan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-3-(2-furfuryl)quinazolin-4-one Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)C

InChI

InChI=1S/C21H25N3O2/c1-15-10-16(2)12-23(11-15)14-20-22-19-8-4-3-7-18(19)21(25)24(20)13-17-6-5-9-26-17/h3-9,15-16H,10-14H2,1-2H3/p+1/t15-,16-/m0/s1