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

Systemtic Name: [2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-butyl-azanium Openeye Name: [2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-butyl-ammonium CAS Name: [2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-butylammonium IUPAC Name: [2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-butylazanium Traditional Name: butyl-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]ammonium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S/c1-3-4-8-21-11-20(23)22(13-19-15(2)7-9-26-19)12-16-5-6-17-18(10-16)25-14-24-17/h5-7,9-10,21H,3-4,8,11-14H2,1-2H3/p+1