(2S)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol Openeye Name: (2S)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(1,1-dimethylallyloxy)propan-2-ol CAS Name: (2S)-1-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-3-(2-methylbut-3-en-2-yloxy)-2-propanol IUPAC Name: (2S)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol Traditional Name: (2S)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(1,1-dimethylallyloxy)propan-2-ol Formula: C19H30ClN2O2+ MolecularWeight: 353.9067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(COC(C)(C)C=C)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C[C@@H](COC(C)(C)C=C)O

InChI

InChI=1S/C19H29ClN2O2/c1-5-19(3,4)24-14-17(23)13-21-8-10-22(11-9-21)18-12-16(20)7-6-15(18)2/h5-7,12,17,23H,1,8-11,13-14H2,2-4H3/p+1/t17-/m0/s1