phenyl-[4-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]piperidin-1-yl]methanone

Systemtic Name: phenyl-[4-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]piperidin-1-yl]methanone Openeye Name: [4-(4-benzylpiperazine-1,4-diium-1-yl)-1-piperidyl]-phenyl-methanone CAS Name: phenyl-[4-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-1-piperidinyl]methanone IUPAC Name: [4-(4-benzylpiperazine-1,4-diium-1-yl)piperidin-1-yl]-phenylmethanone Traditional Name: [4-(4-benzylpiperazine-1,4-diium-1-yl)piperidino]-phenyl-methanone Formula: C23H31N3O+2 MolecularWeight: 365.51174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O/c27-23(21-9-5-2-6-10-21)26-13-11-22(12-14-26)25-17-15-24(16-18-25)19-20-7-3-1-4-8-20/h1-10,22H,11-19H2/p+2