N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3,5-dimethyl-benzamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3,5-dimethyl-benzamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-morpholin-4-iumyl)ethyl]-3,5-dimethylbenzamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-ylethyl]-3,5-dimethylbenzamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3,5-dimethyl-benzamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+]3CCOCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+]3CCOCC3)C

InChI

InChI=1S/C23H31N3O2/c1-17-13-18(2)15-20(14-17)23(27)24-16-22(26-9-11-28-12-10-26)19-5-7-21(8-6-19)25(3)4/h5-8,13-15,22H,9-12,16H2,1-4H3,(H,24,27)/p+1/t22-/m1/s1