N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-[(phenylmethyl)amino]pyridine-3-carboxamide

Systemtic Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-[(phenylmethyl)amino]pyridine-3-carboxamide Openeye Name: 6-(benzylamino)-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide CAS Name: N-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-6-[(phenylmethyl)amino]-3-pyridinecarboxamide IUPAC Name: 6-(benzylamino)-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide Traditional Name: 6-(benzylamino)-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]nicotinamide Formula: C21H29N4O+ MolecularWeight: 353.48116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCNC(=O)C2=CN=C(C=C2)NCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCNC(=O)C2=CN=C(C=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O/c1-25-14-6-5-9-19(25)12-13-22-21(26)18-10-11-20(24-16-18)23-15-17-7-3-2-4-8-17/h2-4,7-8,10-11,16,19H,5-6,9,12-15H2,1H3,(H,22,26)(H,23,24)/p+1/t19-/m0/s1