N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1H-indole-3-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1H-indole-3-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1H-indole-3-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-1H-indole-3-carboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-1H-indole-3-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1H-indole-3-carboxamide Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CNC3=CC=CC=C32)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CNC3=CC=CC=C32)[NH+]4CCOCC4

InChI

InChI=1S/C22H25N3O3/c1-27-17-8-6-16(7-9-17)21(25-10-12-28-13-11-25)15-24-22(26)19-14-23-20-5-3-2-4-18(19)20/h2-9,14,21,23H,10-13,15H2,1H3,(H,24,26)/p+1/t21-/m0/s1