1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(3-methylanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(3-methylanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(3-methylanilino)-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-keto-2-(m-toluidino)ethyl]-piperonyl-ammonium Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C22H26N2O3/c1-16-5-4-6-18(11-16)23-22(25)14-24(19-7-2-3-8-19)13-17-9-10-20-21(12-17)27-15-26-20/h4-6,9-12,19H,2-3,7-8,13-15H2,1H3,(H,23,25)/p+1