ethyl 3-(2-piperidin-1-ium-1-ylethanoylamino)-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-(2-piperidin-1-ium-1-ylethanoylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylate CAS Name: 3-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylate Traditional Name: 3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3/c1-2-24-18(23)17-16(13-8-4-5-9-14(13)19-17)20-15(22)12-21-10-6-3-7-11-21/h4-5,8-9,19H,2-3,6-7,10-12H2,1H3,(H,20,22)/p+1