N-[4,5-dimethyl-3-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[4,5-dimethyl-3-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]thiophen-2-yl]benzamide Openeye Name: N-[4,5-dimethyl-3-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]-2-thienyl]benzamide CAS Name: N-[4,5-dimethyl-3-[(S)-phenyl-(2-pyridin-1-iumylamino)methyl]-2-thiophenyl]benzamide IUPAC Name: N-[4,5-dimethyl-3-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]thiophen-2-yl]benzamide Traditional Name: N-[4,5-dimethyl-3-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]-2-thienyl]benzamide Formula: C25H24N3OS+ MolecularWeight: 414.54256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=CC=CC=C2)NC3=CC=CC=[NH+]3)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1[C@H](C2=CC=CC=C2)NC3=CC=CC=[NH+]3)NC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3OS/c1-17-18(2)30-25(28-24(29)20-13-7-4-8-14-20)22(17)23(19-11-5-3-6-12-19)27-21-15-9-10-16-26-21/h3-16,23H,1-2H3,(H,26,27)(H,28,29)/p+1/t23-/m0/s1