3-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)propyl ethanoate

Systemtic Name: 3-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)propyl ethanoate Openeye Name: 3-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)propyl acetate CAS Name: acetic acid 3-(1,1,2-trimethyl-3-benzo[e]indol-3-iumyl)propyl ester IUPAC Name: 3-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)propyl acetate Traditional Name: acetic acid 3-(1,1,2-trimethylbenz[e]indol-3-ium-3-yl)propyl ester Formula: C20H24NO2+ MolecularWeight: 310.41006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24NO2/c1-14-20(3,4)19-17-9-6-5-8-16(17)10-11-18(19)21(14)12-7-13-23-15(2)22/h5-6,8-11H,7,12-13H2,1-4H3/q+1