ethyl 2-oxidanylidene-6-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-6-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-6-[(4-phenethyl-1-piperidin-1-iumyl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-6-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)C[NH+]2CCC(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)C[NH+]2CCC(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O3/c1-2-27-20(25)18-14-22-21(26)23-19(18)15-24-12-10-17(11-13-24)9-8-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H2,22,23,26)/p+1