2-phenyl-N-(2-piperidin-1-ium-1-ylethyl)quinolin-1-ium-4-amine

Systemtic Name: 2-phenyl-N-(2-piperidin-1-ium-1-ylethyl)quinolin-1-ium-4-amine Openeye Name: 2-phenyl-N-(2-piperidin-1-ium-1-ylethyl)quinolin-1-ium-4-amine CAS Name: 2-phenyl-N-[2-(1-piperidin-1-iumyl)ethyl]-4-quinolin-1-iumamine IUPAC Name: 2-phenyl-N-(2-piperidin-1-ium-1-ylethyl)quinolin-1-ium-4-amine Traditional Name: (2-phenylquinolin-1-ium-4-yl)-(2-piperidin-1-ium-1-ylethyl)amine Formula: C22H27N3+2 MolecularWeight: 333.46988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC2=CC(=[NH+]C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCNC2=CC(=[NH+]C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3/c1-3-9-18(10-4-1)21-17-22(19-11-5-6-12-20(19)24-21)23-13-16-25-14-7-2-8-15-25/h1,3-6,9-12,17H,2,7-8,13-16H2,(H,23,24)/p+2