2-[4-(cyclohexylmethyl)-1,6-dimethyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)pyridin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[4-(cyclohexylmethyl)-1,6-dimethyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)pyridin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)-4-(cyclohexylmethyl)-1,6-dimethyl-2-oxo-pyridin-1-ium-1-yl]acetic acid CAS Name: 2-[4-(cyclohexylmethyl)-1,6-dimethyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridin-1-iumyl]acetic acid IUPAC Name: 2-[4-(cyclohexylmethyl)-1,6-dimethyl-2-oxo-3-(phenylmethoxycarbonylamino)pyridin-1-ium-1-yl]acetic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)-4-(cyclohexylmethyl)-2-keto-1,6-dimethyl-pyridin-1-ium-1-yl]acetic acid Formula: C24H31N2O5+ MolecularWeight: 427.51334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)O)NC(=O)OCC2=CC=CC=C2)CC3CCCCC3

Isomeric SMILES

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)O)NC(=O)OCC2=CC=CC=C2)CC3CCCCC3

InChI

InChI=1S/C24H30N2O5/c1-17-13-20(14-18-9-5-3-6-10-18)22(23(29)26(17,2)15-21(27)28)25-24(30)31-16-19-11-7-4-8-12-19/h4,7-8,11-13,18H,3,5-6,9-10,14-16H2,1-2H3,(H-,25,27,28,30)/p+1