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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCC[NH3+])CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=CC=C1)N(CCC[NH3+])CC2=CC3=C(C=C2)OCO3

InChI

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