cycloheptyl-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]azanium

Systemtic Name: cycloheptyl-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]azanium Openeye Name: cycloheptyl-[[6-(3-thienyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]ammonium CAS Name: cycloheptyl-[[6-(3-thiophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]ammonium IUPAC Name: cycloheptyl-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]azanium Traditional Name: cycloheptyl-[[6-(3-thienyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]ammonium Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH2+]CC2=C(N=C3C=C4C(=CC3=C2)OCO4)C5=CSC=C5

Isomeric SMILES

C1CCCC(CC1)[NH2+]CC2=C(N=C3C=C4C(=CC3=C2)OCO4)C5=CSC=C5

InChI

InChI=1S/C22H24N2O2S/c1-2-4-6-18(5-3-1)23-12-17-9-16-10-20-21(26-14-25-20)11-19(16)24-22(17)15-7-8-27-13-15/h7-11,13,18,23H,1-6,12,14H2/p+1