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

Systemtic Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-methyl-benzamide Openeye Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-methyl-benzamide CAS Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-methylbenzamide IUPAC Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-2-methylbenzamide Traditional Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-methyl-benzamide Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCC(C2=CC(=C(C=C2)OC)OC)[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC[C@@H](C2=CC(=C(C=C2)OC)OC)[NH+]3CCOCC3

InChI

InChI=1S/C22H28N2O4/c1-16-6-4-5-7-18(16)22(25)23-15-19(24-10-12-28-13-11-24)17-8-9-20(26-2)21(14-17)27-3/h4-9,14,19H,10-13,15H2,1-3H3,(H,23,25)/p+1/t19-/m0/s1