2-adamantylmethyl-[[4-[(2S)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2-adamantylmethyl-[[4-[(2S)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: 2-adamantylmethyl-[[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]phenyl]methyl]ammonium CAS Name: 2-adamantylmethyl-[[4-[(2S)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: 2-adamantylmethyl-[[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]phenyl]methyl]azanium Traditional Name: 2-adamantylmethyl-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]benzyl]ammonium Formula: C26H43N3O2+2 MolecularWeight: 429.63852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(COC2=CC=C(C=C2)C[NH2+]CC3C4CC5CC(C4)CC3C5)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@@H](COC2=CC=C(C=C2)C[NH2+]CC3C4CC5CC(C4)CC3C5)O

InChI

InChI=1S/C26H41N3O2/c1-28-6-8-29(9-7-28)17-24(30)18-31-25-4-2-19(3-5-25)15-27-16-26-22-11-20-10-21(13-22)14-23(26)12-20/h2-5,20-24,26-27,30H,6-18H2,1H3/p+2/t20?,21?,22?,23?,24-,26?/m0/s1