(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methyl-azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[(6-methoxy-2-naphthyl)methyl]-methyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[(6-methoxy-2-naphthalenyl)methyl]-methylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-[(6-methoxy-2-naphthyl)methyl]-methyl-ammonium Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=CC3=C(C=C2)C=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=CC3=C(C=C2)C=C(C=C3)OC

InChI

InChI=1S/C22H23N3O3S/c1-4-28-22(26)20-19(18(11-23)21(24)29-20)13-25(2)12-14-5-6-16-10-17(27-3)8-7-15(16)9-14/h5-10H,4,12-13,24H2,1-3H3/p+1