ethyl 4-[(3S)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H29ClN3O4+ MolecularWeight: 410.91496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C20H28ClN3O4/c1-2-26-20(25)24-8-6-23(7-9-24)16-4-3-5-22(13-16)12-15-10-18-19(11-17(15)21)28-14-27-18/h10-11,16H,2-9,12-14H2,1H3/p+1/t16-/m0/s1