[(3S)-3-methoxypiperidin-1-yl]-(2-piperidin-1-ium-1-yl-1,3-dihydroinden-2-yl)methanone

Systemtic Name: [(3S)-3-methoxypiperidin-1-yl]-(2-piperidin-1-ium-1-yl-1,3-dihydroinden-2-yl)methanone Openeye Name: [(3S)-3-methoxy-1-piperidyl]-(2-piperidin-1-ium-1-ylindan-2-yl)methanone CAS Name: [(3S)-3-methoxy-1-piperidinyl]-[2-(1-piperidin-1-iumyl)-1,3-dihydroinden-2-yl]methanone IUPAC Name: [(3S)-3-methoxypiperidin-1-yl]-(2-piperidin-1-ium-1-yl-1,3-dihydroinden-2-yl)methanone Traditional Name: [(3S)-3-methoxypiperidino]-(2-piperidin-1-ium-1-ylindan-2-yl)methanone Formula: C21H31N2O2+ MolecularWeight: 343.48304

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCN(C1)C(=O)C2(CC3=CC=CC=C3C2)[NH+]4CCCCC4

Isomeric SMILES

CO[C@H]1CCCN(C1)C(=O)C2(CC3=CC=CC=C3C2)[NH+]4CCCCC4

InChI

InChI=1S/C21H30N2O2/c1-25-19-10-7-11-22(16-19)20(24)21(23-12-5-2-6-13-23)14-17-8-3-4-9-18(17)15-21/h3-4,8-9,19H,2,5-7,10-16H2,1H3/p+1/t19-/m0/s1