ethyl 5,6-dimethoxy-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate

Systemtic Name: ethyl 5,6-dimethoxy-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 5,6-dimethoxy-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate CAS Name: 5,6-dimethoxy-3-[[1-oxo-3-(1-piperidin-1-iumyl)propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5,6-dimethoxy-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate Traditional Name: 5,6-dimethoxy-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylic acid ethyl ester Formula: C21H30N3O5+ MolecularWeight: 404.48

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CC[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CC[NH+]3CCCCC3

InChI

InChI=1S/C21H29N3O5/c1-4-29-21(26)20-19(23-18(25)8-11-24-9-6-5-7-10-24)14-12-16(27-2)17(28-3)13-15(14)22-20/h12-13,22H,4-11H2,1-3H3,(H,23,25)/p+1