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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O3/c1-5-7-17-29(6-2)18-16-27-25(30)23-21-10-8-9-11-22(21)26(31)28(3)24(23)19-12-14-20(32-4)15-13-19/h8-15,23-24H,5-7,16-18H2,1-4H3,(H,27,30)/p+1