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

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-ethoxy-benzamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-ethoxy-benzamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-ethoxybenzamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-ylethyl]-2-ethoxybenzamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-ethoxy-benzamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+]3CCOCC3

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+]3CCOCC3

InChI

InChI=1S/C23H31N3O3/c1-4-29-22-8-6-5-7-20(22)23(27)24-17-21(26-13-15-28-16-14-26)18-9-11-19(12-10-18)25(2)3/h5-12,21H,4,13-17H2,1-3H3,(H,24,27)/p+1/t21-/m1/s1