2-(2-chloranylphenoxy)ethyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-methyl-azanium

Systemtic Name: 2-(2-chloranylphenoxy)ethyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: 2-(2-chlorophenoxy)ethyl-[3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]-methyl-ammonium CAS Name: 2-(2-chlorophenoxy)ethyl-[3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-methylammonium IUPAC Name: 2-(2-chlorophenoxy)ethyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-methylazanium Traditional Name: 2-(2-chlorophenoxy)ethyl-[3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]-methyl-ammonium Formula: C17H19ClN3O2S+ MolecularWeight: 364.86966

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=C(C=CS1)C#N)CCOC2=CC=CC=C2Cl

Isomeric SMILES

C[NH+](CCC(=O)NC1=C(C=CS1)C#N)CCOC2=CC=CC=C2Cl

InChI

InChI=1S/C17H18ClN3O2S/c1-21(9-10-23-15-5-3-2-4-14(15)18)8-6-16(22)20-17-13(12-19)7-11-24-17/h2-5,7,11H,6,8-10H2,1H3,(H,20,22)/p+1