ethyl 1,2-dimethyl-5-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 1,2-dimethyl-5-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-1,2-dimethyl-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate CAS Name: 5-hydroxy-1,2-dimethyl-4-(1-piperidin-1-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-1,2-dimethyl-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Traditional Name: 5-hydroxy-1,2-dimethyl-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C19H27N2O3+ MolecularWeight: 331.42928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)C[NH+]3CCCCC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)C[NH+]3CCCCC3)C)C

InChI

InChI=1S/C19H26N2O3/c1-4-24-19(23)17-13(2)20(3)15-8-9-16(22)14(18(15)17)12-21-10-6-5-7-11-21/h8-9,22H,4-7,10-12H2,1-3H3/p+1