(2S)-1-(4-methyl-2-prop-2-enyl-phenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-methyl-2-prop-2-enyl-phenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(2-allyl-4-methyl-phenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-methyl-2-prop-2-enylphenoxy)-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-methyl-2-prop-2-enylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(2-allyl-4-methyl-phenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O)CC=C

Isomeric SMILES

CC1=CC(=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3)O)CC=C

InChI

InChI=1S/C23H30N2O2/c1-3-7-20-16-19(2)10-11-23(20)27-18-22(26)17-24-12-14-25(15-13-24)21-8-5-4-6-9-21/h3-6,8-11,16,22,26H,1,7,12-15,17-18H2,2H3/p+1/t22-/m0/s1