(3R,4R)-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(3-ethoxy-4-hydroxy-benzyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C19H33N3O3+2 MolecularWeight: 351.48362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(C(C2)O)N3CC[NH+](CC3)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CC[C@H]([C@@H](C2)O)N3CC[NH+](CC3)C)O

InChI

InChI=1S/C19H31N3O3/c1-3-25-19-12-15(4-5-17(19)23)13-21-7-6-16(18(24)14-21)22-10-8-20(2)9-11-22/h4-5,12,16,18,23-24H,3,6-11,13-14H2,1-2H3/p+2/t16-,18-/m1/s1