2,3-dihydro-1H-inden-2-yl-[[4-methoxy-2-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2,3-dihydro-1H-inden-2-yl-[[4-methoxy-2-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: [2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl-indan-2-yl-ammonium CAS Name: 2,3-dihydro-1H-inden-2-yl-[[2-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: 2,3-dihydro-1H-inden-2-yl-[[2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: [2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]-indan-2-yl-ammonium Formula: C25H37N3O3+2 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(COC2=C(C=CC(=C2)OC)C[NH2+]C3CC4=CC=CC=C4C3)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@H](COC2=C(C=CC(=C2)OC)C[NH2+]C3CC4=CC=CC=C4C3)O

InChI

InChI=1S/C25H35N3O3/c1-27-9-11-28(12-10-27)17-23(29)18-31-25-15-24(30-2)8-7-21(25)16-26-22-13-19-5-3-4-6-20(19)14-22/h3-8,15,22-23,26,29H,9-14,16-18H2,1-2H3/p+2/t23-/m1/s1