3-imidazol-1-ylpropyl-[[4-methoxy-2-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: 3-imidazol-1-ylpropyl-[[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-(3-imidazol-1-ylpropyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C22H37N5O3+2 MolecularWeight: 419.56088

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(COC2=C(C=CC(=C2)OC)C[NH2+]CCCN3C=CN=C3)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@H](COC2=C(C=CC(=C2)OC)C[NH2+]CCCN3C=CN=C3)O

InChI

InChI=1S/C22H35N5O3/c1-25-10-12-26(13-11-25)16-20(28)17-30-22-14-21(29-2)5-4-19(22)15-23-6-3-8-27-9-7-24-18-27/h4-5,7,9,14,18,20,23,28H,3,6,8,10-13,15-17H2,1-2H3/p+2/t20-/m1/s1