3-azanyl-5,6-dimethoxy-2-methyl-3-propyl-2-(5-thiophen-2-ylpentyl)-4H-isoquinolin-2-ium-1-one

Systemtic Name: 3-azanyl-5,6-dimethoxy-2-methyl-3-propyl-2-(5-thiophen-2-ylpentyl)-4H-isoquinolin-2-ium-1-one Openeye Name: 3-amino-5,6-dimethoxy-2-methyl-3-propyl-2-[5-(2-thienyl)pentyl]-4H-isoquinolin-2-ium-1-one CAS Name: 3-amino-5,6-dimethoxy-2-methyl-3-propyl-2-(5-thiophen-2-ylpentyl)-4H-isoquinolin-2-ium-1-one IUPAC Name: 3-amino-5,6-dimethoxy-2-methyl-3-propyl-2-(5-thiophen-2-ylpentyl)-4H-isoquinolin-2-ium-1-one Traditional Name: 3-amino-5,6-dimethoxy-2-methyl-3-propyl-2-[5-(2-thienyl)pentyl]-4H-isoquinolin-2-ium-1-one Formula: C24H35N2O3S+ MolecularWeight: 431.6113

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC2=C(C=CC(=C2OC)OC)C(=O)[N+]1(C)CCCCCC3=CC=CS3)N

Isomeric SMILES

CCCC1(CC2=C(C=CC(=C2OC)OC)C(=O)[N+]1(C)CCCCCC3=CC=CS3)N

InChI

InChI=1S/C24H35N2O3S/c1-5-14-24(25)17-20-19(12-13-21(28-3)22(20)29-4)23(27)26(24,2)15-8-6-7-10-18-11-9-16-30-18/h9,11-13,16H,5-8,10,14-15,17,25H2,1-4H3/q+1