ethyl 4-[8-(dimethylamino)-10,10-dimethyl-2,3-dihydronaphtho[2,3-f]indol-1-ium-1-yl]butanoate

Systemtic Name: ethyl 4-[8-(dimethylamino)-10,10-dimethyl-2,3-dihydronaphtho[2,3-f]indol-1-ium-1-yl]butanoate Openeye Name: ethyl 4-[8-(dimethylamino)-10,10-dimethyl-2,3-dihydronaphtho[2,3-f]indol-1-ium-1-yl]butanoate CAS Name: 4-[8-(dimethylamino)-10,10-dimethyl-2,3-dihydronaphtho[2,3-f]indol-1-ium-1-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[8-(dimethylamino)-10,10-dimethyl-2,3-dihydronaphtho[2,3-f]indol-1-ium-1-yl]butanoate Traditional Name: 4-[8-(dimethylamino)-10,10-dimethyl-2,3-dihydronaphth[2,3-f]indol-1-ium-1-yl]butyric acid ethyl ester Formula: C26H33N2O2+ MolecularWeight: 405.55242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC[N+]1=C2C=C3C(=CC4=C(C3(C)C)C=C(C=C4)N(C)C)C=C2CC1

Isomeric SMILES

CCOC(=O)CCC[N+]1=C2C=C3C(=CC4=C(C3(C)C)C=C(C=C4)N(C)C)C=C2CC1

InChI

InChI=1S/C26H33N2O2/c1-6-30-25(29)8-7-12-28-13-11-19-15-20-14-18-9-10-21(27(4)5)16-22(18)26(2,3)23(20)17-24(19)28/h9-10,14-17H,6-8,11-13H2,1-5H3/q+1