[3-azanyl-1-methyl-5-[2-[(1-piperidin-1-yl-2,3-dihydroinden-1-yl)oxy]ethylamino]-1,2,4-triazol-1-ium-1-yl]methanesulfonate

Systemtic Name: [3-azanyl-1-methyl-5-[2-[(1-piperidin-1-yl-2,3-dihydroinden-1-yl)oxy]ethylamino]-1,2,4-triazol-1-ium-1-yl]methanesulfonate Openeye Name: [3-amino-1-methyl-5-[2-[1-(1-piperidyl)indan-1-yl]oxyethylamino]-1,2,4-triazol-1-ium-1-yl]methanesulfonate CAS Name: [3-amino-1-methyl-5-[2-[[1-(1-piperidinyl)-2,3-dihydroinden-1-yl]oxy]ethylamino]-1,2,4-triazol-1-ium-1-yl]methanesulfonate IUPAC Name: [3-amino-1-methyl-5-[2-[(1-piperidin-1-yl-2,3-dihydroinden-1-yl)oxy]ethylamino]-1,2,4-triazol-1-ium-1-yl]methanesulfonate Traditional Name: [3-amino-1-methyl-5-[2-(1-piperidinoindan-1-yl)oxyethylamino]-1,2,4-triazol-1-ium-1-yl]methanesulfonate Formula: C20H30N6O4S MolecularWeight: 450.555

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=NC(=N1)N)NCCOC2(CCC3=CC=CC=C32)N4CCCCC4)CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(C(=NC(=N1)N)NCCOC2(CCC3=CC=CC=C32)N4CCCCC4)CS(=O)(=O)[O-]

InChI

InChI=1S/C20H30N6O4S/c1-26(15-31(27,28)29)19(23-18(21)24-26)22-11-14-30-20(25-12-5-2-6-13-25)10-9-16-7-3-4-8-17(16)20/h3-4,7-8H,2,5-6,9-15H2,1H3,(H3-,21,22,23,24,27,28,29)