3-[2-methyl-3,4-bis(oxidanyl)pyridin-1-ium-1-yl]propyl 4-(dimethylamino)benzoate

Systemtic Name: 3-[2-methyl-3,4-bis(oxidanyl)pyridin-1-ium-1-yl]propyl 4-(dimethylamino)benzoate Openeye Name: 3-(3,4-dihydroxy-2-methyl-pyridin-1-ium-1-yl)propyl 4-(dimethylamino)benzoate CAS Name: 4-(dimethylamino)benzoic acid 3-(3,4-dihydroxy-2-methyl-1-pyridin-1-iumyl)propyl ester IUPAC Name: 3-(3,4-dihydroxy-2-methylpyridin-1-ium-1-yl)propyl 4-(dimethylamino)benzoate Traditional Name: 4-(dimethylamino)benzoic acid 3-(3,4-dihydroxy-2-methyl-pyridin-1-ium-1-yl)propyl ester Formula: C18H23N2O4+ MolecularWeight: 331.38622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC(=C1O)O)CCCOC(=O)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC1=[N+](C=CC(=C1O)O)CCCOC(=O)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C18H22N2O4/c1-13-17(22)16(21)9-11-20(13)10-4-12-24-18(23)14-5-7-15(8-6-14)19(2)3/h5-9,11,22H,4,10,12H2,1-3H3/p+1