3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)propyl]-methyl-ammonium CAS Name: 3-[[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)propyl]-methylazanium Traditional Name: benzyl-[3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)propyl]-methyl-ammonium Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)N1CCC2=CC=CC=C2C1)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)N1CCC2=CC=CC=C2C1)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-23(16-18-8-3-2-4-9-18)14-7-13-22-21(25)24-15-12-19-10-5-6-11-20(19)17-24/h2-6,8-11H,7,12-17H2,1H3,(H,22,25)/p+1