ethyl 7-(2-pyrrolidin-1-ium-1-ylethanoylamino)-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate

Systemtic Name: ethyl 7-(2-pyrrolidin-1-ium-1-ylethanoylamino)-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate Openeye Name: ethyl 7-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate CAS Name: 7-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 7-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate Traditional Name: 7-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-5H-[1,3]dioxol[4,5-f]indole-6-carboxylic acid ethyl ester Formula: C18H22N3O5+ MolecularWeight: 360.38438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC3=C(C=C2N1)OCO3)NC(=O)C[NH+]4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC3=C(C=C2N1)OCO3)NC(=O)C[NH+]4CCCC4

InChI

InChI=1S/C18H21N3O5/c1-2-24-18(23)17-16(20-15(22)9-21-5-3-4-6-21)11-7-13-14(26-10-25-13)8-12(11)19-17/h7-8,19H,2-6,9-10H2,1H3,(H,20,22)/p+1