ethyl 4-[(3S)-1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(1-indan-5-yl-4-piperidyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[1-(2,3-dihydro-1H-inden-5-yl)-4-piperidinyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(1-indan-5-yl-4-piperidyl)piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C26H41N4O2+ MolecularWeight: 441.62934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)C3CCN(CC3)C4=CC5=C(CCC5)C=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)C3CCN(CC3)C4=CC5=C(CCC5)C=C4

InChI

InChI=1S/C26H40N4O2/c1-2-32-26(31)29-17-15-28(16-18-29)25-7-4-12-30(20-25)23-10-13-27(14-11-23)24-9-8-21-5-3-6-22(21)19-24/h8-9,19,23,25H,2-7,10-18,20H2,1H3/p+1/t25-/m0/s1