[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-azanium

Systemtic Name: [3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-azanium Openeye Name: [3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-ammonium CAS Name: [3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-[(2-methoxy-5-methylphenyl)methyl]-methylammonium IUPAC Name: [3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium Traditional Name: [3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]-(2-methoxy-5-methyl-benzyl)-methyl-ammonium Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S/c1-13-4-5-16(23-3)15(10-13)12-21(2)8-6-17(22)20-18-14(11-19)7-9-24-18/h4-5,7,9-10H,6,8,12H2,1-3H3,(H,20,22)/p+1