3H-benzimidazol-5-yl-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: 3H-benzimidazol-5-yl-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: 3H-benzimidazol-5-yl-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 3H-benzimidazol-5-yl-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: 3H-benzimidazol-5-yl-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: 3H-benzimidazol-5-yl-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone Formula: C23H23N4O+ MolecularWeight: 371.45492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C4=CC5=C(C=C4)N=CN5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C23H22N4O/c28-23(18-8-9-21-22(14-18)25-16-24-21)27-12-10-26(11-13-27)15-19-6-3-5-17-4-1-2-7-20(17)19/h1-9,14,16H,10-13,15H2,(H,24,25)/p+1