[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-propyl-azanium

Systemtic Name: [2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-propyl-azanium Openeye Name: [2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-propyl-ammonium CAS Name: [2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-propylammonium IUPAC Name: [2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-propylazanium Traditional Name: [2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]-propyl-ammonium Formula: C19H25N2O3S+ MolecularWeight: 361.4784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3S/c1-3-7-20-10-19(22)21(12-18-14(2)6-8-25-18)11-15-4-5-16-17(9-15)24-13-23-16/h4-6,8-9,20H,3,7,10-13H2,1-2H3/p+1