2-[1-(phenylmethyl)piperazin-1-ium-1-yl]-5,6,7,8-tetrahydroquinoline

Systemtic Name: 2-[1-(phenylmethyl)piperazin-1-ium-1-yl]-5,6,7,8-tetrahydroquinoline Openeye Name: 2-(1-benzylpiperazin-1-ium-1-yl)-5,6,7,8-tetrahydroquinoline CAS Name: 2-[1-(phenylmethyl)-1-piperazin-1-iumyl]-5,6,7,8-tetrahydroquinoline IUPAC Name: 2-(1-benzylpiperazin-1-ium-1-yl)-5,6,7,8-tetrahydroquinoline Traditional Name: 2-(1-benzylpiperazin-1-ium-1-yl)-5,6,7,8-tetrahydroquinoline Formula: C20H26N3+ MolecularWeight: 308.44054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=N2)[N+]3(CCNCC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=N2)[N+]3(CCNCC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H26N3/c1-2-6-17(7-3-1)16-23(14-12-21-13-15-23)20-11-10-18-8-4-5-9-19(18)22-20/h1-3,6-7,10-11,21H,4-5,8-9,12-16H2/q+1