(1S)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol

Systemtic Name: (1S)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol Openeye Name: (1S)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol CAS Name: (1S)-2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-1-(5-methoxy-1H-indol-3-yl)ethanol IUPAC Name: (1S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol Traditional Name: (1S)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(C3=CNC4=C3C=C(C=C4)OC)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C[C@H](C3=CNC4=C3C=C(C=C4)OC)O

InChI

InChI=1S/C22H26ClN3O2/c1-15-3-4-16(23)11-21(15)26-9-7-25(8-10-26)14-22(27)19-13-24-20-6-5-17(28-2)12-18(19)20/h3-6,11-13,22,24,27H,7-10,14H2,1-2H3/p+1/t22-/m1/s1