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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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