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

Systemtic Name: N-[4,5-dimethyl-3-[(S)-phenyl(piperidin-1-ium-1-yl)methyl]thiophen-2-yl]benzamide Openeye Name: N-[4,5-dimethyl-3-[(S)-phenyl(piperidin-1-ium-1-yl)methyl]-2-thienyl]benzamide CAS Name: N-[4,5-dimethyl-3-[(S)-phenyl(1-piperidin-1-iumyl)methyl]-2-thiophenyl]benzamide IUPAC Name: N-[4,5-dimethyl-3-[(S)-phenyl(piperidin-1-ium-1-yl)methyl]thiophen-2-yl]benzamide Traditional Name: N-[4,5-dimethyl-3-[(S)-phenyl(piperidin-1-ium-1-yl)methyl]-2-thienyl]benzamide Formula: C25H29N2OS+ MolecularWeight: 405.57556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=CC=CC=C2)[NH+]3CCCCC3)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1[C@H](C2=CC=CC=C2)[NH+]3CCCCC3)NC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N2OS/c1-18-19(2)29-25(26-24(28)21-14-8-4-9-15-21)22(18)23(20-12-6-3-7-13-20)27-16-10-5-11-17-27/h3-4,6-9,12-15,23H,5,10-11,16-17H2,1-2H3,(H,26,28)/p+1/t23-/m0/s1