methyl 5-[(2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[(2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)[N+]2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)[N+]2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C18H23N3O3/c1-11-15(18(23)24-6)12(2)19-16(11)17(22)13(3)21-9-7-14(8-10-21)20(4)5/h7-10,13H,1-6H3/p+1/t13-/m0/s1