methyl 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C20H29N3O4/c1-26-18-5-3-17(4-6-18)22-11-13-23(14-12-22)19(24)15-21-9-7-16(8-10-21)20(25)27-2/h3-6,16H,7-15H2,1-2H3/p+1