1-[4-methyl-1-(phenylmethyl)piperazin-1-ium-1-yl]butan-2-ol

Systemtic Name: 1-[4-methyl-1-(phenylmethyl)piperazin-1-ium-1-yl]butan-2-ol Openeye Name: 1-(1-benzyl-4-methyl-piperazin-1-ium-1-yl)butan-2-ol CAS Name: 1-[4-methyl-1-(phenylmethyl)-1-piperazin-1-iumyl]-2-butanol IUPAC Name: 1-(1-benzyl-4-methylpiperazin-1-ium-1-yl)butan-2-ol Traditional Name: 1-(1-benzyl-4-methyl-piperazin-1-ium-1-yl)butan-2-ol Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C[N+]1(CCN(CC1)C)CC2=CC=CC=C2)O

Isomeric SMILES

CCC(C[N+]1(CCN(CC1)C)CC2=CC=CC=C2)O

InChI

InChI=1S/C16H27N2O/c1-3-16(19)14-18(11-9-17(2)10-12-18)13-15-7-5-4-6-8-15/h4-8,16,19H,3,9-14H2,1-2H3/q+1