3-[2-[(2R)-1-cyclopentylpiperidin-1-ium-2-yl]ethyl]-5-methoxy-quinazolin-4-one

Systemtic Name: 3-[2-[(2R)-1-cyclopentylpiperidin-1-ium-2-yl]ethyl]-5-methoxy-quinazolin-4-one Openeye Name: 3-[2-[(2R)-1-cyclopentylpiperidin-1-ium-2-yl]ethyl]-5-methoxy-quinazolin-4-one CAS Name: 3-[2-[(2R)-1-cyclopentyl-2-piperidin-1-iumyl]ethyl]-5-methoxy-4-quinazolinone IUPAC Name: 3-[2-[(2R)-1-cyclopentylpiperidin-1-ium-2-yl]ethyl]-5-methoxyquinazolin-4-one Traditional Name: 3-[2-[(2R)-1-cyclopentylpiperidin-1-ium-2-yl]ethyl]-5-methoxy-quinazolin-4-one Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)N(C=N2)CCC3CCCC[NH+]3C4CCCC4

Isomeric SMILES

COC1=CC=CC2=C1C(=O)N(C=N2)CC[C@H]3CCCC[NH+]3C4CCCC4

InChI

InChI=1S/C21H29N3O2/c1-26-19-11-6-10-18-20(19)21(25)23(15-22-18)14-12-17-9-4-5-13-24(17)16-7-2-3-8-16/h6,10-11,15-17H,2-5,7-9,12-14H2,1H3/p+1/t17-/m1/s1