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

Systemtic Name: [2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-azanium Openeye Name: [2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-cyclopropyl-ammonium CAS Name: [2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-cyclopropylammonium IUPAC Name: [2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-cyclopropylazanium Traditional Name: cyclopropyl-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]ammonium Formula: C18H21N2O3S+ MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH2+]CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4

Isomeric SMILES

C1CC1[NH2+]CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4

InChI

InChI=1S/C18H20N2O3S/c21-18(9-19-14-4-5-14)20(11-15-2-1-7-24-15)10-13-3-6-16-17(8-13)23-12-22-16/h1-3,6-8,14,19H,4-5,9-12H2/p+1