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

Systemtic Name: [3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]-methyl-ammonium CAS Name: [3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-methylazanium Traditional Name: benzyl-[3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]-methyl-ammonium Formula: C16H18N3OS+ MolecularWeight: 300.39862

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=C(C=CS1)C#N)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCC(=O)NC1=C(C=CS1)C#N)CC2=CC=CC=C2

InChI

InChI=1S/C16H17N3OS/c1-19(12-13-5-3-2-4-6-13)9-7-15(20)18-16-14(11-17)8-10-21-16/h2-6,8,10H,7,9,12H2,1H3,(H,18,20)/p+1