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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-[(4-dimethylaminophenyl)methyl]-ethyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-[(4-dimethylaminophenyl)methyl]-ethyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-ethylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-ethylazanium Traditional Name: [4-(dimethylamino)benzyl]-ethyl-[2-keto-2-(piperonylamino)ethyl]ammonium Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-4-24(13-16-5-8-18(9-6-16)23(2)3)14-21(25)22-12-17-7-10-19-20(11-17)27-15-26-19/h5-11H,4,12-15H2,1-3H3,(H,22,25)/p+1