3-cycloheptyl-6,7-dimethoxy-2-(pyridin-3-ylmethylsulfanyl)quinazolin-3-ium-4-amine

Systemtic Name: 3-cycloheptyl-6,7-dimethoxy-2-(pyridin-3-ylmethylsulfanyl)quinazolin-3-ium-4-amine Openeye Name: 3-cycloheptyl-6,7-dimethoxy-2-(3-pyridylmethylsulfanyl)quinazolin-3-ium-4-amine CAS Name: 3-cycloheptyl-6,7-dimethoxy-2-(3-pyridinylmethylthio)-4-quinazolin-3-iumamine IUPAC Name: 3-cycloheptyl-6,7-dimethoxy-2-(pyridin-3-ylmethylsulfanyl)quinazolin-3-ium-4-amine Traditional Name: [3-cycloheptyl-6,7-dimethoxy-2-(3-pyridylmethylthio)quinazolin-3-ium-4-yl]amine Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=[N+](C(=N2)SCC3=CN=CC=C3)C4CCCCCC4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=[N+](C(=N2)SCC3=CN=CC=C3)C4CCCCCC4)N)OC

InChI

InChI=1S/C23H28N4O2S/c1-28-20-12-18-19(13-21(20)29-2)26-23(30-15-16-8-7-11-25-14-16)27(22(18)24)17-9-5-3-4-6-10-17/h7-8,11-14,17,24H,3-6,9-10,15H2,1-2H3/p+1