ethyl 3-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-(3,3-dimethyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C22H32N3O4+ MolecularWeight: 402.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CC[NH+]3CCCC(C3)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CC[NH+]3CCCC(C3)(C)C

InChI

InChI=1S/C22H31N3O4/c1-5-29-21(27)20-19(16-13-15(28-4)7-8-17(16)23-20)24-18(26)9-12-25-11-6-10-22(2,3)14-25/h7-8,13,23H,5-6,9-12,14H2,1-4H3,(H,24,26)/p+1