methyl 5-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-5-oxo-pentanoate CAS Name: 5-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-5-oxopentanoate Traditional Name: 5-keto-5-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]valeric acid methyl ester Formula: C22H34N3O4+ MolecularWeight: 404.52306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)CCCC(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)CCCC(=O)OC

InChI

InChI=1S/C22H33N3O4/c1-28-20-9-4-3-8-19(20)24-15-13-23(14-16-24)18-7-6-12-25(17-18)21(26)10-5-11-22(27)29-2/h3-4,8-9,18H,5-7,10-17H2,1-2H3/p+1/t18-/m0/s1