propyl 4-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: propyl 4-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]benzoic acid propyl ester Formula: C19H24N3O3+ MolecularWeight: 342.41216

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C19H23N3O3/c1-4-13-25-19(24)15-5-7-16(8-6-15)20-18(23)14-22-11-9-17(10-12-22)21(2)3/h5-12H,4,13-14H2,1-3H3/p+1