methyl 1-(2-acetyloxyethyl)-1-[(4-propanoylphenyl)amino]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-(2-acetyloxyethyl)-1-[(4-propanoylphenyl)amino]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-(2-acetoxyethyl)-1-(4-propanoylanilino)piperidin-1-ium-4-carboxylate CAS Name: 1-(2-acetyloxyethyl)-1-[4-(1-oxopropyl)anilino]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(2-acetyloxyethyl)-1-(4-propanoylanilino)piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-acetoxyethyl)-1-(4-propionylanilino)piperidin-1-ium-4-carboxylic acid methyl ester Formula: C20H29N2O5+ MolecularWeight: 377.45466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)N[N+]2(CCC(CC2)C(=O)OC)CCOC(=O)C

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)N[N+]2(CCC(CC2)C(=O)OC)CCOC(=O)C

InChI

InChI=1S/C20H28N2O5/c1-4-19(24)16-5-7-18(8-6-16)21-22(13-14-27-15(2)23)11-9-17(10-12-22)20(25)26-3/h5-8,17H,4,9-14H2,1-3H3/p+1