ethyl 3-[[(2S)-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)propanoyl]amino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[[(2S)-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[(2S)-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[(2S)-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[(2S)-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)propanoyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C(C)[NH+]3CCC4(CC3)OCCO4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)[C@H](C)[NH+]3CCC4(CC3)OCCO4

InChI

InChI=1S/C21H27N3O5/c1-3-27-20(26)18-17(15-6-4-5-7-16(15)22-18)23-19(25)14(2)24-10-8-21(9-11-24)28-12-13-29-21/h4-7,14,22H,3,8-13H2,1-2H3,(H,23,25)/p+1/t14-/m0/s1