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

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-(2-piperidinobenzyl)ammonium Formula: C23H35N4O3+ MolecularWeight: 415.549

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+](C)CC2=CC=CC=C2N3CCCCC3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+](C)CC2=CC=CC=C2N3CCCCC3)C(=O)OCC

InChI

InChI=1S/C23H34N4O3/c1-4-18-21(22(28)30-5-2)19(25-23(29)24-18)16-26(3)15-17-11-7-8-12-20(17)27-13-9-6-10-14-27/h7-8,11-12,18H,4-6,9-10,13-16H2,1-3H3,(H2,24,25,29)/p+1/t18-/m0/s1