ethyl 3-[2-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-yl)ethanoylamino]-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[2-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-yl)ethanoylamino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-(4-carbamoyl-4-piperidin-1-ium-1-yl-1-piperidyl)acetyl]amino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-carbamoyl-4-(1-piperidin-1-iumyl)-1-piperidinyl]-1-oxoethyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-carbamoyl-4-piperidin-1-ium-1-ylpiperidin-1-yl)acetyl]amino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-carbamoyl-4-piperidin-1-ium-1-yl-piperidino)acetyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C25H36N5O5+ MolecularWeight: 486.58384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CN3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CN3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

InChI

InChI=1S/C25H35N5O5/c1-3-35-23(32)22-21(18-15-17(34-2)7-8-19(18)27-22)28-20(31)16-29-13-9-25(10-14-29,24(26)33)30-11-5-4-6-12-30/h7-8,15,27H,3-6,9-14,16H2,1-2H3,(H2,26,33)(H,28,31)/p+1