(1S)-1-(4-methoxy-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-ethanol

Systemtic Name: (1S)-1-(4-methoxy-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-ethanol Openeye Name: (1S)-1-(4-methoxy-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-ethanol CAS Name: (1S)-1-(4-methoxy-3-methylphenyl)-2-(1-piperazin-4-iumyl)ethanol IUPAC Name: (1S)-1-(4-methoxy-3-methylphenyl)-2-piperazin-4-ium-1-ylethanol Traditional Name: (1S)-1-(4-methoxy-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-ethanol Formula: C14H23N2O2+ MolecularWeight: 251.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CN2CC[NH2+]CC2)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[C@@H](CN2CC[NH2+]CC2)O)OC

InChI

InChI=1S/C14H22N2O2/c1-11-9-12(3-4-14(11)18-2)13(17)10-16-7-5-15-6-8-16/h3-4,9,13,15,17H,5-8,10H2,1-2H3/p+1/t13-/m1/s1