3-[2-[(2R)-1-cyclopentylpiperidin-1-ium-2-yl]ethyl]-7-methyl-quinazolin-4-one

Systemtic Name: 3-[2-[(2R)-1-cyclopentylpiperidin-1-ium-2-yl]ethyl]-7-methyl-quinazolin-4-one Openeye Name: 3-[2-[(2R)-1-cyclopentylpiperidin-1-ium-2-yl]ethyl]-7-methyl-quinazolin-4-one CAS Name: 3-[2-[(2R)-1-cyclopentyl-2-piperidin-1-iumyl]ethyl]-7-methyl-4-quinazolinone IUPAC Name: 3-[2-[(2R)-1-cyclopentylpiperidin-1-ium-2-yl]ethyl]-7-methylquinazolin-4-one Traditional Name: 3-[2-[(2R)-1-cyclopentylpiperidin-1-ium-2-yl]ethyl]-7-methyl-quinazolin-4-one Formula: C21H30N3O+ MolecularWeight: 340.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C=N2)CCC3CCCC[NH+]3C4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C=N2)CC[C@H]3CCCC[NH+]3C4CCCC4

InChI

InChI=1S/C21H29N3O/c1-16-9-10-19-20(14-16)22-15-23(21(19)25)13-11-18-8-4-5-12-24(18)17-6-2-3-7-17/h9-10,14-15,17-18H,2-8,11-13H2,1H3/p+1/t18-/m1/s1