[1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(5-nitropyridin-1-ium-2-yl)-4-piperidyl]methanone CAS Name: [1-(5-nitro-2-pyridin-1-iumyl)-4-piperidinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(5-nitropyridin-1-ium-2-yl)-4-piperidyl]methanone Formula: C22H29N5O3+2 MolecularWeight: 411.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=[NH+]C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=[NH+]C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O3/c28-22(26-14-12-24(13-15-26)17-18-4-2-1-3-5-18)19-8-10-25(11-9-19)21-7-6-20(16-23-21)27(29)30/h1-7,16,19H,8-15,17H2/p+2