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

Systemtic Name: [4-methoxy-2-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(1-phenylcyclopropyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl-(1-phenylcyclopropyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl-(1-phenylcyclopropyl)ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-(1-phenylcyclopropyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]-(1-phenylcyclopropyl)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+]C3(CC3)C4=CC=CC=C4)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@H](COC2=C(C=CC(=C2)OC)C[NH2+]C3(CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C25H35N3O3/c1-27-12-14-28(15-13-27)18-22(29)19-31-24-16-23(30-2)9-8-20(24)17-26-25(10-11-25)21-6-4-3-5-7-21/h3-9,16,22,26,29H,10-15,17-19H2,1-2H3/p+2/t22-/m1/s1