N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-methyl-benzamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-methyl-benzamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-methyl-benzamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-methylbenzamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-ylethyl]-2-methylbenzamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-methyl-benzamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2/c1-17-6-4-5-7-20(17)22(26)23-16-21(25-12-14-27-15-13-25)18-8-10-19(11-9-18)24(2)3/h4-11,21H,12-16H2,1-3H3,(H,23,26)/p+1/t21-/m1/s1