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

Systemtic Name: [4-methoxy-3-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(1-propylpiperidin-4-yl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl-(1-propyl-4-piperidyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl-(1-propyl-4-piperidinyl)ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-(1-propylpiperidin-4-yl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]-(1-propyl-4-piperidyl)ammonium Formula: C24H44N4O3+2 MolecularWeight: 436.63116

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)[NH2+]CC2=CC(=C(C=C2)OC)OCC(CN3CC[NH+](CC3)C)O

Isomeric SMILES

CCCN1CCC(CC1)[NH2+]CC2=CC(=C(C=C2)OC)OC[C@@H](CN3CC[NH+](CC3)C)O

InChI

InChI=1S/C24H42N4O3/c1-4-9-27-10-7-21(8-11-27)25-17-20-5-6-23(30-3)24(16-20)31-19-22(29)18-28-14-12-26(2)13-15-28/h5-6,16,21-22,25,29H,4,7-15,17-19H2,1-3H3/p+2/t22-/m1/s1