ethyl 5-[3,3-dimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium-1-yl]pentanoate

Systemtic Name: ethyl 5-[3,3-dimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium-1-yl]pentanoate Openeye Name: ethyl 5-[3,3-dimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)vinyl]indol-1-ium-1-yl]pentanoate CAS Name: 5-[3,3-dimethyl-2-[(E)-2-[4-(1-pyrrolidinyl)phenyl]ethenyl]-1-indol-1-iumyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[3,3-dimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium-1-yl]pentanoate Traditional Name: 5-[3,3-dimethyl-2-[(E)-2-(4-pyrrolidinophenyl)vinyl]indol-1-ium-1-yl]valeric acid ethyl ester Formula: C29H37N2O2+ MolecularWeight: 445.61628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC[N+]1=C(C(C2=CC=CC=C21)(C)C)C=CC3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

CCOC(=O)CCCC[N+]1=C(C(C2=CC=CC=C21)(C)C)/C=C/C3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C29H37N2O2/c1-4-33-28(32)13-7-8-22-31-26-12-6-5-11-25(26)29(2,3)27(31)19-16-23-14-17-24(18-15-23)30-20-9-10-21-30/h5-6,11-12,14-19H,4,7-10,13,20-22H2,1-3H3/q+1