4-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)butyl ethanoate

Systemtic Name: 4-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)butyl ethanoate Openeye Name: 4-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)butyl acetate CAS Name: acetic acid 4-(1,1,2-trimethyl-3-benzo[e]indol-3-iumyl)butyl ester IUPAC Name: 4-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)butyl acetate Traditional Name: acetic acid 4-(1,1,2-trimethylbenz[e]indol-3-ium-3-yl)butyl ester Formula: C21H26NO2+ MolecularWeight: 324.43664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26NO2/c1-15-21(3,4)20-18-10-6-5-9-17(18)11-12-19(20)22(15)13-7-8-14-24-16(2)23/h5-6,9-12H,7-8,13-14H2,1-4H3/q+1