methyl 5-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-piperidyl]-5-oxo-pentanoate CAS Name: 5-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-piperidinyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-5-oxopentanoate Traditional Name: 5-keto-5-[(3S)-3-(4-piperonylpiperazin-1-ium-1-yl)piperidino]valeric acid methyl ester Formula: C23H34N3O5+ MolecularWeight: 432.53316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)N1CCCC(C1)[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)CCCC(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H33N3O5/c1-29-23(28)6-2-5-22(27)26-9-3-4-19(16-26)25-12-10-24(11-13-25)15-18-7-8-20-21(14-18)31-17-30-20/h7-8,14,19H,2-6,9-13,15-17H2,1H3/p+1/t19-/m0/s1