[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-[(4-ethylphenyl)methyl]-methyl-azanium

Systemtic Name: [3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-[(4-ethylphenyl)methyl]-methyl-azanium Openeye Name: [3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]-[(4-ethylphenyl)methyl]-methyl-ammonium CAS Name: [3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-[(4-ethylphenyl)methyl]-methylammonium IUPAC Name: [3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-[(4-ethylphenyl)methyl]-methylazanium Traditional Name: [3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]-(4-ethylbenzyl)-methyl-ammonium Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](C)CCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](C)CCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C18H21N3OS/c1-3-14-4-6-15(7-5-14)13-21(2)10-8-17(22)20-18-16(12-19)9-11-23-18/h4-7,9,11H,3,8,10,13H2,1-2H3,(H,20,22)/p+1