phenyl-[3-[1-[1-(piperidin-1-ylmethyl)piperidin-1-ium-1-yl]propan-2-yl]phenyl]methanimine

Systemtic Name: phenyl-[3-[1-[1-(piperidin-1-ylmethyl)piperidin-1-ium-1-yl]propan-2-yl]phenyl]methanimine Openeye Name: [3-[1-methyl-2-[1-(1-piperidylmethyl)piperidin-1-ium-1-yl]ethyl]phenyl]-phenyl-methanimine CAS Name: phenyl-[3-[1-[1-(1-piperidinylmethyl)-1-piperidin-1-iumyl]propan-2-yl]phenyl]methanimine IUPAC Name: phenyl-[3-[1-[1-(piperidin-1-ylmethyl)piperidin-1-ium-1-yl]propan-2-yl]phenyl]methanimine Traditional Name: [[3-[1-methyl-2-[1-(piperidinomethyl)piperidin-1-ium-1-yl]ethyl]phenyl]-phenyl-methylene]amine Formula: C27H38N3+ MolecularWeight: 404.61072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1(CCCCC1)CN2CCCCC2)C3=CC=CC(=C3)C(=N)C4=CC=CC=C4

Isomeric SMILES

CC(C[N+]1(CCCCC1)CN2CCCCC2)C3=CC=CC(=C3)C(=N)C4=CC=CC=C4

InChI

InChI=1S/C27H38N3/c1-23(21-30(18-9-4-10-19-30)22-29-16-7-3-8-17-29)25-14-11-15-26(20-25)27(28)24-12-5-2-6-13-24/h2,5-6,11-15,20,23,28H,3-4,7-10,16-19,21-22H2,1H3/q+1