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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-26-18-7-4-16(5-8-18)22(25)23-15-19(24-10-12-29-13-11-24)17-6-9-20(27-2)21(14-17)28-3/h4-9,14,19H,10-13,15H2,1-3H3,(H,23,25)/p+1/t19-/m0/s1