ethyl 6-bromanyl-5-methoxy-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-methoxy-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-phenyl-2-(1-piperidin-1-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C24H28BrN2O3+ MolecularWeight: 472.39472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)C[NH+]4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C24H27BrN2O3/c1-3-30-24(28)23-18-14-22(29-2)19(25)15-20(18)27(17-10-6-4-7-11-17)21(23)16-26-12-8-5-9-13-26/h4,6-7,10-11,14-15H,3,5,8-9,12-13,16H2,1-2H3/p+1