3-[[3-(4-methoxyphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonylamino]propyl-dipropyl-azanium

Systemtic Name: 3-[[3-(4-methoxyphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonylamino]propyl-dipropyl-azanium Openeye Name: 3-[[3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]amino]propyl-dipropyl-ammonium CAS Name: 3-[[[3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinolin-4-yl]-oxomethyl]amino]propyl-dipropylammonium IUPAC Name: 3-[[3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]amino]propyl-dipropylazanium Traditional Name: 3-[[1-keto-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinoline-4-carbonyl]amino]propyl-dipropyl-ammonium Formula: C27H38N3O3+ MolecularWeight: 452.60892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CCCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC[NH+](CCC)CCCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H37N3O3/c1-5-17-30(18-6-2)19-9-16-28-26(31)24-22-10-7-8-11-23(22)27(32)29(3)25(24)20-12-14-21(33-4)15-13-20/h7-8,10-15,24-25H,5-6,9,16-19H2,1-4H3,(H,28,31)/p+1