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

Systemtic Name: [3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-(diphenylmethyl)azanium Openeye Name: benzhydryl-[3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]ammonium CAS Name: [3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-(diphenylmethyl)ammonium IUPAC Name: benzhydryl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]azanium Traditional Name: benzhydryl-[3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]ammonium Formula: C21H20N3OS+ MolecularWeight: 362.468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)[NH2+]CCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)[NH2+]CCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C21H19N3OS/c22-15-18-12-14-26-21(18)24-19(25)11-13-23-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,12,14,20,23H,11,13H2,(H,24,25)/p+1