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

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-(naphthalen-2-ylmethyl)azanium Openeye Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-(2-naphthylmethyl)ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-(2-naphthalenylmethyl)ammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-(naphthalen-2-ylmethyl)azanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-(2-naphthylmethyl)ammonium Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+](C)CC2=CC3=CC=CC=C3C=C2)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+](C)CC2=CC3=CC=CC=C3C=C2)C(=O)OCC

InChI

InChI=1S/C22H27N3O3/c1-4-18-20(21(26)28-5-2)19(24-22(27)23-18)14-25(3)13-15-10-11-16-8-6-7-9-17(16)12-15/h6-12,18H,4-5,13-14H2,1-3H3,(H2,23,24,27)/p+1/t18-/m0/s1