4-[4-(cyclohexyl-oxidanyl-phenyl-methyl)piperidin-1-yl]-1-[4-(1-methylpiperazin-1-ium-1-yl)phenyl]butan-1-ol

Systemtic Name: 4-[4-(cyclohexyl-oxidanyl-phenyl-methyl)piperidin-1-yl]-1-[4-(1-methylpiperazin-1-ium-1-yl)phenyl]butan-1-ol Openeye Name: 4-[4-(cyclohexyl-hydroxy-phenyl-methyl)-1-piperidyl]-1-[4-(1-methylpiperazin-1-ium-1-yl)phenyl]butan-1-ol CAS Name: 4-[4-(cyclohexyl-hydroxy-phenylmethyl)-1-piperidinyl]-1-[4-(1-methyl-1-piperazin-1-iumyl)phenyl]-1-butanol IUPAC Name: 4-[4-(cyclohexyl-hydroxy-phenylmethyl)piperidin-1-yl]-1-[4-(1-methylpiperazin-1-ium-1-yl)phenyl]butan-1-ol Traditional Name: 4-[4-(cyclohexyl-hydroxy-phenyl-methyl)piperidino]-1-[4-(1-methylpiperazin-1-ium-1-yl)phenyl]butan-1-ol Formula: C33H50N3O2+ MolecularWeight: 520.769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)C2=CC=C(C=C2)C(CCCN3CCC(CC3)C(C4CCCCC4)(C5=CC=CC=C5)O)O

Isomeric SMILES

C[N+]1(CCNCC1)C2=CC=C(C=C2)C(CCCN3CCC(CC3)C(C4CCCCC4)(C5=CC=CC=C5)O)O

InChI

InChI=1S/C33H50N3O2/c1-36(25-20-34-21-26-36)31-16-14-27(15-17-31)32(37)13-8-22-35-23-18-30(19-24-35)33(38,28-9-4-2-5-10-28)29-11-6-3-7-12-29/h2,4-5,9-10,14-17,29-30,32,34,37-38H,3,6-8,11-13,18-26H2,1H3/q+1