6-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)hexanoate

Systemtic Name: 6-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)hexanoate Openeye Name: 6-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)hexanoate CAS Name: 6-(1,1,2-trimethyl-3-benzo[e]indol-3-iumyl)hexanoate IUPAC Name: 6-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)hexanoate Traditional Name: 6-(1,1,2-trimethylbenz[e]indol-3-ium-3-yl)hexanoate Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)CCCCCC(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)CCCCCC(=O)[O-]

InChI

InChI=1S/C21H25NO2/c1-15-21(2,3)20-17-10-7-6-9-16(17)12-13-18(20)22(15)14-8-4-5-11-19(23)24/h6-7,9-10,12-13H,4-5,8,11,14H2,1-3H3