(2S)-1-butoxy-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-butoxy-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-butoxy-3-[4-(p-tolyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-butoxy-3-[4-(4-methylphenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-butoxy-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-butoxy-3-[4-(p-tolyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C18H31N2O2+ MolecularWeight: 307.45094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(C[NH+]1CCN(CC1)C2=CC=C(C=C2)C)O

Isomeric SMILES

CCCCOC[C@H](C[NH+]1CCN(CC1)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C18H30N2O2/c1-3-4-13-22-15-18(21)14-19-9-11-20(12-10-19)17-7-5-16(2)6-8-17/h5-8,18,21H,3-4,9-15H2,1-2H3/p+1/t18-/m0/s1