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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C[NH2+]C(C)C

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C[NH2+]C(C)C

InChI

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