N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-phenoxy-benzamide

Systemtic Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-phenoxy-benzamide Openeye Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-phenoxy-benzamide CAS Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-phenoxybenzamide IUPAC Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-3-phenoxybenzamide Traditional Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-phenoxy-benzamide Formula: C27H31N2O5+ MolecularWeight: 463.54544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3)[NH+]4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](CNC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3)[NH+]4CCOCC4)OC

InChI

InChI=1S/C27H30N2O5/c1-31-25-12-11-20(18-26(25)32-2)24(29-13-15-33-16-14-29)19-28-27(30)21-7-6-10-23(17-21)34-22-8-4-3-5-9-22/h3-12,17-18,24H,13-16,19H2,1-2H3,(H,28,30)/p+1/t24-/m1/s1