N-[[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[(3R)-1-[(1-ethyl-2-benzimidazolyl)methyl]-3-piperidin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]nicotinamide Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C[NH+]3CCCC(C3)CNC(=O)C4=CN=CC=C4

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1C[NH+]3CCC[C@@H](C3)CNC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H27N5O/c1-2-27-20-10-4-3-9-19(20)25-21(27)16-26-12-6-7-17(15-26)13-24-22(28)18-8-5-11-23-14-18/h3-5,8-11,14,17H,2,6-7,12-13,15-16H2,1H3,(H,24,28)/p+1/t17-/m1/s1