[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C18H29N3O+2 MolecularWeight: 303.44236

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H27N3O/c1-19-10-8-17(9-11-19)20(2)14-18(22)21-12-7-15-5-3-4-6-16(15)13-21/h3-6,17H,7-14H2,1-2H3/p+2