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

Systemtic Name: N-[4,5-dimethyl-3-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[4,5-dimethyl-3-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]-2-thienyl]furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-[(S)-phenyl-(2-pyridin-1-iumylamino)methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[4,5-dimethyl-3-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide Traditional Name: N-[4,5-dimethyl-3-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]-2-thienyl]-2-furamide Formula: C23H22N3O2S+ MolecularWeight: 404.50468

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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=CO4)C

Isomeric SMILES

CC1=C(SC(=C1[C@H](C2=CC=CC=C2)NC3=CC=CC=[NH+]3)NC(=O)C4=CC=CO4)C

InChI

InChI=1S/C23H21N3O2S/c1-15-16(2)29-23(26-22(27)18-11-8-14-28-18)20(15)21(17-9-4-3-5-10-17)25-19-12-6-7-13-24-19/h3-14,21H,1-2H3,(H,24,25)(H,26,27)/p+1/t21-/m0/s1