[(4S)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [(4S)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [(4S)-5-carbethoxy-2-keto-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-(2-piperidinobenzyl)ammonium Formula: C28H37N4O4+ MolecularWeight: 493.61778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)C[NH+](C)CC3=CC=CC=C3N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)OC)C[NH+](C)CC3=CC=CC=C3N4CCCCC4

InChI

InChI=1S/C28H36N4O4/c1-4-36-27(33)25-23(29-28(34)30-26(25)20-12-14-22(35-3)15-13-20)19-31(2)18-21-10-6-7-11-24(21)32-16-8-5-9-17-32/h6-7,10-15,26H,4-5,8-9,16-19H2,1-3H3,(H2,29,30,34)/p+1/t26-/m0/s1