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

Systemtic Name: phenethyl-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]azanium Openeye Name: phenethyl-[[6-(3-thienyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]ammonium CAS Name: phenethyl-[[6-(3-thiophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]ammonium IUPAC Name: phenethyl-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]azanium Traditional Name: phenethyl-[[6-(3-thienyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]ammonium Formula: C23H21N2O2S+ MolecularWeight: 389.49004

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC3=CC(=C(N=C3C=C2O1)C4=CSC=C4)C[NH2+]CCC5=CC=CC=C5

Isomeric SMILES

C1OC2=CC3=CC(=C(N=C3C=C2O1)C4=CSC=C4)C[NH2+]CCC5=CC=CC=C5

InChI

InChI=1S/C23H20N2O2S/c1-2-4-16(5-3-1)6-8-24-13-19-10-18-11-21-22(27-15-26-21)12-20(18)25-23(19)17-7-9-28-14-17/h1-5,7,9-12,14,24H,6,8,13,15H2/p+1