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

Systemtic Name: N-[4,5-dimethyl-3-[(S)-(pyridin-1-ium-2-ylamino)-thiophen-2-yl-methyl]thiophen-2-yl]benzamide Openeye Name: N-[4,5-dimethyl-3-[(S)-(pyridin-1-ium-2-ylamino)-(2-thienyl)methyl]-2-thienyl]benzamide CAS Name: N-[4,5-dimethyl-3-[(S)-(2-pyridin-1-iumylamino)-thiophen-2-ylmethyl]-2-thiophenyl]benzamide IUPAC Name: N-[4,5-dimethyl-3-[(S)-(pyridin-1-ium-2-ylamino)-thiophen-2-ylmethyl]thiophen-2-yl]benzamide Traditional Name: N-[4,5-dimethyl-3-[(S)-(pyridin-1-ium-2-ylamino)-(2-thienyl)methyl]-2-thienyl]benzamide Formula: C23H22N3OS2+ MolecularWeight: 420.57028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=CC=CS2)NC3=CC=CC=[NH+]3)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1[C@@H](C2=CC=CS2)NC3=CC=CC=[NH+]3)NC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C23H21N3OS2/c1-15-16(2)29-23(26-22(27)17-9-4-3-5-10-17)20(15)21(18-11-8-14-28-18)25-19-12-6-7-13-24-19/h3-14,21H,1-2H3,(H,24,25)(H,26,27)/p+1/t21-/m1/s1