[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-methyl-(p-tolylmethyl)ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [2-keto-2-(piperonylamino)ethyl]-methyl-(4-methylbenzyl)ammonium Formula: C19H23N2O3+ MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](C)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](C)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H22N2O3/c1-14-3-5-15(6-4-14)11-21(2)12-19(22)20-10-16-7-8-17-18(9-16)24-13-23-17/h3-9H,10-13H2,1-2H3,(H,20,22)/p+1