(1R)-1-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanol

Systemtic Name: (1R)-1-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanol Openeye Name: (1R)-1-(1-benzyl-5-methoxy-2-methyl-indol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanol CAS Name: (1R)-1-[5-methoxy-2-methyl-1-(phenylmethyl)-3-indolyl]-2-(4-phenyl-1-piperazin-1-iumyl)ethanol IUPAC Name: (1R)-1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanol Traditional Name: (1R)-1-(1-benzyl-5-methoxy-2-methyl-indol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanol Formula: C29H34N3O2+ MolecularWeight: 456.59916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)C(C[NH+]4CCN(CC4)C5=CC=CC=C5)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)[C@H](C[NH+]4CCN(CC4)C5=CC=CC=C5)O

InChI

InChI=1S/C29H33N3O2/c1-22-29(28(33)21-30-15-17-31(18-16-30)24-11-7-4-8-12-24)26-19-25(34-2)13-14-27(26)32(22)20-23-9-5-3-6-10-23/h3-14,19,28,33H,15-18,20-21H2,1-2H3/p+1/t28-/m0/s1