(3R,4R)-1-[(2-methoxynaphthalen-1-yl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(2-methoxynaphthalen-1-yl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(2-methoxy-1-naphthyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(2-methoxy-1-naphthalenyl)methyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(2-methoxynaphthalen-1-yl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(2-methoxy-1-naphthyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C22H33N3O2+2 MolecularWeight: 371.51632

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CC[NH+](CC2O)CC3=C(C=CC4=CC=CC=C43)OC

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=C(C=CC4=CC=CC=C43)OC

InChI

InChI=1S/C22H31N3O2/c1-23-11-13-25(14-12-23)20-9-10-24(16-21(20)26)15-19-18-6-4-3-5-17(18)7-8-22(19)27-2/h3-8,20-21,26H,9-16H2,1-2H3/p+2/t20-,21-/m1/s1