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

Systemtic Name: 2-[[3-(4-methoxyphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonylamino]ethyl-dipropyl-azanium Openeye Name: 2-[[3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]amino]ethyl-dipropyl-ammonium CAS Name: 2-[[[3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinolin-4-yl]-oxomethyl]amino]ethyl-dipropylammonium IUPAC Name: 2-[[3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]amino]ethyl-dipropylazanium Traditional Name: 2-[[1-keto-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinoline-4-carbonyl]amino]ethyl-dipropyl-ammonium Formula: C26H36N3O3+ MolecularWeight: 438.58234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O3/c1-5-16-29(17-6-2)18-15-27-25(30)23-21-9-7-8-10-22(21)26(31)28(3)24(23)19-11-13-20(32-4)14-12-19/h7-14,23-24H,5-6,15-18H2,1-4H3,(H,27,30)/p+1