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

Systemtic Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-methoxy-benzamide Openeye Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-methoxy-benzamide CAS Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-methoxybenzamide IUPAC Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-3-methoxybenzamide Traditional Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-methoxy-benzamide Formula: C22H29N2O5+ MolecularWeight: 401.47606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)OC)[NH+]3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](CNC(=O)C2=CC(=CC=C2)OC)[NH+]3CCOCC3)OC

InChI

InChI=1S/C22H28N2O5/c1-26-18-6-4-5-17(13-18)22(25)23-15-19(24-9-11-29-12-10-24)16-7-8-20(27-2)21(14-16)28-3/h4-8,13-14,19H,9-12,15H2,1-3H3,(H,23,25)/p+1/t19-/m1/s1