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

Systemtic Name: (3R,4R)-1-[(4-ethylphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(4-ethylphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(4-ethylphenyl)methyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(4-ethylphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(4-ethylbenzyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C19H33N3O+2 MolecularWeight: 319.48482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(C(C2)O)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CC[C@H]([C@@H](C2)O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H31N3O/c1-3-16-4-6-17(7-5-16)14-21-9-8-18(19(23)15-21)22-12-10-20(2)11-13-22/h4-7,18-19,23H,3,8-15H2,1-2H3/p+2/t18-,19-/m1/s1