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

Systemtic Name: ethyl (4S)-4-ethyl-2-oxidanylidene-6-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-2-oxo-6-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H31N3O3/c1-3-18-20(21(26)28-4-2)19(24-22(27)23-18)15-25-12-10-17(11-13-25)14-16-8-6-5-7-9-16/h5-9,17-18H,3-4,10-15H2,1-2H3,(H2,23,24,27)/p+1/t18-/m0/s1