1-(3-methyl-4-oxidanylidene-6H-naphtho[2,3-a]indolizin-2-yl)propyl 2-pyridin-1-ium-1-ylethanoate

Systemtic Name: 1-(3-methyl-4-oxidanylidene-6H-naphtho[2,3-a]indolizin-2-yl)propyl 2-pyridin-1-ium-1-ylethanoate Openeye Name: 1-(3-methyl-4-oxo-6H-naphtho[2,3-a]indolizin-2-yl)propyl 2-pyridin-1-ium-1-ylacetate CAS Name: 2-(1-pyridin-1-iumyl)acetic acid 1-(3-methyl-4-oxo-6H-naphtho[2,3-a]indolizin-2-yl)propyl ester IUPAC Name: 1-(3-methyl-4-oxo-6H-naphtho[2,3-a]indolizin-2-yl)propyl 2-pyridin-1-ium-1-ylacetate Traditional Name: 2-pyridin-1-ium-1-ylacetic acid 1-(4-keto-3-methyl-6H-naphth[2,3-a]indolizin-2-yl)propyl ester Formula: C27H25N2O3+ MolecularWeight: 425.499

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=O)N2CC3=CC4=CC=CC=C4C=C3C2=C1)C)OC(=O)C[N+]5=CC=CC=C5

Isomeric SMILES

CCC(C1=C(C(=O)N2CC3=CC4=CC=CC=C4C=C3C2=C1)C)OC(=O)C[N+]5=CC=CC=C5

InChI

InChI=1S/C27H25N2O3/c1-3-25(32-26(30)17-28-11-7-4-8-12-28)22-15-24-23-14-20-10-6-5-9-19(20)13-21(23)16-29(24)27(31)18(22)2/h4-15,25H,3,16-17H2,1-2H3/q+1