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

Systemtic Name: [2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-(2-methylpropyl)azanium Openeye Name: [2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-isobutyl-ammonium CAS Name: [2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-(2-methylpropyl)ammonium IUPAC Name: [2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-(2-methylpropyl)azanium Traditional Name: isobutyl-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]ammonium Formula: C19H25N2O3S+ MolecularWeight: 361.4784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3

Isomeric SMILES

CC(C)C[NH2+]CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3

InChI

InChI=1S/C19H24N2O3S/c1-14(2)9-20-10-19(22)21(12-16-4-3-7-25-16)11-15-5-6-17-18(8-15)24-13-23-17/h3-8,14,20H,9-13H2,1-2H3/p+1