2-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)hexanoic acid

Systemtic Name: 2-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)hexanoic acid Openeye Name: 2-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)hexanoic acid CAS Name: 2-(1,1,2-trimethyl-3-benzo[e]indol-3-iumyl)hexanoic acid IUPAC Name: 2-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)hexanoic acid Traditional Name: 2-(1,1,2-trimethylbenz[e]indol-3-ium-3-yl)hexanoic acid Formula: C21H26NO2+ MolecularWeight: 324.43664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)[N+]1=C(C(C2=C1C=CC3=CC=CC=C32)(C)C)C

Isomeric SMILES

CCCCC(C(=O)O)[N+]1=C(C(C2=C1C=CC3=CC=CC=C32)(C)C)C

InChI

InChI=1S/C21H25NO2/c1-5-6-11-18(20(23)24)22-14(2)21(3,4)19-16-10-8-7-9-15(16)12-13-17(19)22/h7-10,12-13,18H,5-6,11H2,1-4H3/p+1