2-chloranyl-3-[2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]pyrrol-1-yl]pyridine

Systemtic Name: 2-chloranyl-3-[2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]pyrrol-1-yl]pyridine Openeye Name: 3-[2-[(4-benzylpiperidin-1-ium-1-yl)methyl]pyrrol-1-yl]-2-chloro-pyridine CAS Name: 2-chloro-3-[2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1-pyrrolyl]pyridine IUPAC Name: 3-[2-[(4-benzylpiperidin-1-ium-1-yl)methyl]pyrrol-1-yl]-2-chloropyridine Traditional Name: 3-[2-[(4-benzylpiperidin-1-ium-1-yl)methyl]pyrrol-1-yl]-2-chloro-pyridine Formula: C22H25ClN3+ MolecularWeight: 366.907

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=CN3C4=C(N=CC=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=CN3C4=C(N=CC=C4)Cl

InChI

InChI=1S/C22H24ClN3/c23-22-21(9-4-12-24-22)26-13-5-8-20(26)17-25-14-10-19(11-15-25)16-18-6-2-1-3-7-18/h1-9,12-13,19H,10-11,14-17H2/p+1