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

Systemtic Name: (3R,4R)-1-[(3-chloranyl-4-ethoxy-phenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(3-chloro-4-ethoxy-phenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(3-chloro-4-ethoxyphenyl)methyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(3-chloro-4-ethoxyphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(3-chloro-4-ethoxy-benzyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C19H32ClN3O2+2 MolecularWeight: 369.92928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30ClN3O2/c1-3-25-19-5-4-15(12-16(19)20)13-22-7-6-17(18(24)14-22)23-10-8-21(2)9-11-23/h4-5,12,17-18,24H,3,6-11,13-14H2,1-2H3/p+2/t17-,18-/m1/s1