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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-[(5-chloranylthiophen-2-yl)methyl]-prop-2-enyl-azanium Openeye Name: allyl-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-[(5-chloro-2-thienyl)methyl]ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(5-chloro-2-thiophenyl)methyl]-prop-2-enylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-keto-2-(piperonylamino)ethyl]ammonium Formula: C18H20ClN2O3S+ MolecularWeight: 379.881

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=C(S1)Cl)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C=CC[NH+](CC1=CC=C(S1)Cl)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H19ClN2O3S/c1-2-7-21(10-14-4-6-17(19)25-14)11-18(22)20-9-13-3-5-15-16(8-13)24-12-23-15/h2-6,8H,1,7,9-12H2,(H,20,22)/p+1