6-(1,4-diazepan-1-ium-1-ylmethyl)quinoline

Systemtic Name: 6-(1,4-diazepan-1-ium-1-ylmethyl)quinoline Openeye Name: 6-(1,4-diazepan-1-ium-1-ylmethyl)quinoline CAS Name: 6-(1,4-diazepan-1-ium-1-ylmethyl)quinoline IUPAC Name: 6-(1,4-diazepan-1-ium-1-ylmethyl)quinoline Traditional Name: 6-(1,4-diazepan-1-ium-1-ylmethyl)quinoline Formula: C15H20N3+ MolecularWeight: 242.3394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC[NH+](C1)CC2=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

C1CNCC[NH+](C1)CC2=CC3=C(C=C2)N=CC=C3

InChI

InChI=1S/C15H19N3/c1-3-14-11-13(4-5-15(14)17-7-1)12-18-9-2-6-16-8-10-18/h1,3-5,7,11,16H,2,6,8-10,12H2/p+1