(3-nitro-4-piperidin-1-yl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-nitro-4-piperidin-1-yl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [3-nitro-4-(1-piperidyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [3-nitro-4-(1-piperidinyl)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-nitro-4-piperidin-1-ylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (3-nitro-4-piperidino-phenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H26N5O3+ MolecularWeight: 396.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O3/c27-21(25-14-12-24(13-15-25)20-6-2-3-9-22-20)17-7-8-18(19(16-17)26(28)29)23-10-4-1-5-11-23/h2-3,6-9,16H,1,4-5,10-15H2/p+1