N-[1-(3-nitrophenyl)ethenyl]-4-(phenylmethyl)piperazin-4-ium-1-amine

Systemtic Name: N-[1-(3-nitrophenyl)ethenyl]-4-(phenylmethyl)piperazin-4-ium-1-amine Openeye Name: 4-benzyl-N-[1-(3-nitrophenyl)vinyl]piperazin-4-ium-1-amine CAS Name: N-[1-(3-nitrophenyl)ethenyl]-4-(phenylmethyl)-1-piperazin-4-iumamine IUPAC Name: 4-benzyl-N-[1-(3-nitrophenyl)ethenyl]piperazin-4-ium-1-amine Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(3-nitrophenyl)vinyl]amine Formula: C19H23N4O2+ MolecularWeight: 339.41152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=CC=C1)[N+](=O)[O-])NN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C=C(C1=CC(=CC=C1)[N+](=O)[O-])NN2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O2/c1-16(18-8-5-9-19(14-18)23(24)25)20-22-12-10-21(11-13-22)15-17-6-3-2-4-7-17/h2-9,14,20H,1,10-13,15H2/p+1