ethyl 5-azanyl-4-cyano-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H22N4O2S/c1-2-25-19(24)17-16(15(12-20)18(21)26-17)13-22-8-10-23(11-9-22)14-6-4-3-5-7-14/h3-7H,2,8-11,13,21H2,1H3/p+1