(1R)-1-(5-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanol

Systemtic Name: (1R)-1-(5-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanol Openeye Name: (1R)-1-(5-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanol CAS Name: (1R)-1-(5-methoxy-1H-indol-3-yl)-2-(4-phenyl-1-piperazin-1-iumyl)ethanol IUPAC Name: (1R)-1-(5-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanol Traditional Name: (1R)-1-(5-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanol Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(C[NH+]3CCN(CC3)C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2[C@H](C[NH+]3CCN(CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C21H25N3O2/c1-26-17-7-8-20-18(13-17)19(14-22-20)21(25)15-23-9-11-24(12-10-23)16-5-3-2-4-6-16/h2-8,13-14,21-22,25H,9-12,15H2,1H3/p+1/t21-/m0/s1