(5-chloranylthiophen-2-yl)methyl-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]-allyl-[(5-chloro-2-thienyl)methyl]ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(5-chloro-2-thiophenyl)methyl]-prop-2-enylammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-prop-2-enylazanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-allyl-[(5-chloro-2-thienyl)methyl]ammonium Formula: C19H20ClN2O4S+ MolecularWeight: 407.8911

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](CC=C)CC3=CC=C(S3)Cl)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](CC=C)CC3=CC=C(S3)Cl)OCO2

InChI

InChI=1S/C19H19ClN2O4S/c1-3-6-22(9-13-4-5-18(20)27-13)10-19(24)21-15-8-17-16(25-11-26-17)7-14(15)12(2)23/h3-5,7-8H,1,6,9-11H2,2H3,(H,21,24)/p+1