(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]azanium

Systemtic Name: (6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]azanium Openeye Name: [2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl-[(6-methoxyindan-5-yl)methyl]ammonium CAS Name: [2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]ammonium IUPAC Name: [2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]azanium Traditional Name: [2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl-[(6-methoxyindan-5-yl)methyl]ammonium Formula: C22H31N3O2+2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCCC2=C1)C[NH2+]CC3=C([NH+]=CC=C3)N4CCCC(C4)O

Isomeric SMILES

COC1=C(C=C2CCCC2=C1)C[NH2+]CC3=C([NH+]=CC=C3)N4CCC[C@@H](C4)O

InChI

InChI=1S/C22H29N3O2/c1-27-21-12-17-6-2-5-16(17)11-19(21)14-23-13-18-7-3-9-24-22(18)25-10-4-8-20(26)15-25/h3,7,9,11-12,20,23,26H,2,4-6,8,10,13-15H2,1H3/p+2/t20-/m0/s1