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

Systemtic Name: [3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-methyl-[2-(3-methylphenoxy)ethyl]azanium Openeye Name: [3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]-methyl-[2-(3-methylphenoxy)ethyl]ammonium CAS Name: [3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-methyl-[2-(3-methylphenoxy)ethyl]ammonium IUPAC Name: [3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-methyl-[2-(3-methylphenoxy)ethyl]azanium Traditional Name: [3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]-methyl-[2-(3-methylphenoxy)ethyl]ammonium Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[NH+](C)CCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CC1=CC(=CC=C1)OCC[NH+](C)CCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C18H21N3O2S/c1-14-4-3-5-16(12-14)23-10-9-21(2)8-6-17(22)20-18-15(13-19)7-11-24-18/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,20,22)/p+1