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

Systemtic Name: [2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-(3-methoxypropyl)azanium Openeye Name: [2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-(3-methoxypropyl)ammonium CAS Name: [2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-(3-methoxypropyl)ammonium IUPAC Name: [2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-(3-methoxypropyl)azanium Traditional Name: [2-keto-2-[piperonyl(2-thenyl)amino]ethyl]-(3-methoxypropyl)ammonium Formula: C19H25N2O4S+ MolecularWeight: 377.4778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4S/c1-23-8-3-7-20-11-19(22)21(13-16-4-2-9-26-16)12-15-5-6-17-18(10-15)25-14-24-17/h2,4-6,9-10,20H,3,7-8,11-14H2,1H3/p+1