ethyl 2-azanyl-5-(methylcarbamoyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-(methylcarbamoyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]thiophene-3-carboxylate Openeye Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]thiophene-3-carboxylate Traditional Name: 2-amino-5-(methylcarbamoyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]thiophene-3-carboxylic acid ethyl ester Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C[NH+]2CCC(=CC2)C3=CC=CC=C3)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C[NH+]2CCC(=CC2)C3=CC=CC=C3)C(=O)NC)N

InChI

InChI=1S/C21H25N3O3S/c1-3-27-21(26)17-16(18(20(25)23-2)28-19(17)22)13-24-11-9-15(10-12-24)14-7-5-4-6-8-14/h4-9H,3,10-13,22H2,1-2H3,(H,23,25)/p+1