1-[[4-[2-(azepan-1-ium-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-indol-5-ol

Systemtic Name: 1-[[4-[2-(azepan-1-ium-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-indol-5-ol Openeye Name: 1-[[4-[2-(azepan-1-ium-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-indol-5-ol CAS Name: 1-[[4-[2-(1-azepan-1-iumyl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-5-indolol IUPAC Name: 1-[[4-[2-(azepan-1-ium-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol Traditional Name: 1-[4-[2-(azepan-1-ium-1-yl)ethoxy]benzyl]-2-(4-hydroxyphenyl)-3-methyl-indol-5-ol Formula: C30H35N2O3+ MolecularWeight: 471.6105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCC[NH+]4CCCCCC4)C5=CC=C(C=C5)O

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCC[NH+]4CCCCCC4)C5=CC=C(C=C5)O

InChI

InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3/p+1