N-[4,5-dimethyl-3-[(S)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[4,5-dimethyl-3-[(S)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]thiophen-2-yl]benzamide Openeye Name: N-[4,5-dimethyl-3-[(S)-morpholin-4-ium-4-yl(4-pyridyl)methyl]-2-thienyl]benzamide CAS Name: N-[4,5-dimethyl-3-[(S)-4-morpholin-4-iumyl(pyridin-4-yl)methyl]-2-thiophenyl]benzamide IUPAC Name: N-[4,5-dimethyl-3-[(S)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]thiophen-2-yl]benzamide Traditional Name: N-[4,5-dimethyl-3-[(S)-morpholin-4-ium-4-yl(4-pyridyl)methyl]-2-thienyl]benzamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=CC=NC=C2)[NH+]3CCOCC3)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1[C@H](C2=CC=NC=C2)[NH+]3CCOCC3)NC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C23H25N3O2S/c1-16-17(2)29-23(25-22(27)19-6-4-3-5-7-19)20(16)21(18-8-10-24-11-9-18)26-12-14-28-15-13-26/h3-11,21H,12-15H2,1-2H3,(H,25,27)/p+1/t21-/m0/s1