ethyl 3-[3-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-oxopropyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C22H30N3O6+ MolecularWeight: 432.4901

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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+]3CCC4(CC3)OCCO4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CC[NH+]3CCC4(CC3)OCCO4

InChI

InChI=1S/C22H29N3O6/c1-3-29-21(27)20-19(16-14-15(28-2)4-5-17(16)23-20)24-18(26)6-9-25-10-7-22(8-11-25)30-12-13-31-22/h4-5,14,23H,3,6-13H2,1-2H3,(H,24,26)/p+1