3-cycloheptyl-6,7-dimethoxy-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-3-ium-4-amine

Systemtic Name: 3-cycloheptyl-6,7-dimethoxy-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-3-ium-4-amine Openeye Name: 3-cycloheptyl-6,7-dimethoxy-2-[[(2R)-tetrahydropyran-2-yl]methylsulfanyl]quinazolin-3-ium-4-amine CAS Name: 3-cycloheptyl-6,7-dimethoxy-2-[[(2R)-2-oxanyl]methylthio]-4-quinazolin-3-iumamine IUPAC Name: 3-cycloheptyl-6,7-dimethoxy-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-3-ium-4-amine Traditional Name: [3-cycloheptyl-6,7-dimethoxy-2-[[(2R)-tetrahydropyran-2-yl]methylthio]quinazolin-3-ium-4-yl]amine Formula: C23H34N3O3S+ MolecularWeight: 432.59936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=[N+](C(=N2)SCC3CCCCO3)C4CCCCCC4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=[N+](C(=N2)SC[C@H]3CCCCO3)C4CCCCCC4)N)OC

InChI

InChI=1S/C23H33N3O3S/c1-27-20-13-18-19(14-21(20)28-2)25-23(30-15-17-11-7-8-12-29-17)26(22(18)24)16-9-5-3-4-6-10-16/h13-14,16-17,24H,3-12,15H2,1-2H3/p+1/t17-/m1/s1