3-[1,3-benzodioxol-5-ylmethyl-(2-methylphenyl)amino]propylazanium

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethyl-(2-methylphenyl)amino]propylazanium Openeye Name: 3-[N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-anilino]propylammonium CAS Name: 3-[N-(1,3-benzodioxol-5-ylmethyl)-2-methylanilino]propylammonium IUPAC Name: 3-[N-(1,3-benzodioxol-5-ylmethyl)-2-methylanilino]propylazanium Traditional Name: 3-(2-methyl-N-piperonyl-anilino)propylammonium Formula: C18H23N2O2+ MolecularWeight: 299.38742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CCC[NH3+])CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1N(CCC[NH3+])CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H22N2O2/c1-14-5-2-3-6-16(14)20(10-4-9-19)12-15-7-8-17-18(11-15)22-13-21-17/h2-3,5-8,11H,4,9-10,12-13,19H2,1H3/p+1