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

Systemtic Name: [1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-(5-nitropyridin-1-ium-2-yl)-4-piperidyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [1-(5-nitro-2-pyridin-1-iumyl)-4-piperidinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [1-(5-nitropyridin-1-ium-2-yl)-4-piperidyl]-(4-phenylpiperazino)methanone Formula: C21H26N5O3+ MolecularWeight: 396.46284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)C4=[NH+]C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)C4=[NH+]C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O3/c27-21(25-14-12-23(13-15-25)18-4-2-1-3-5-18)17-8-10-24(11-9-17)20-7-6-19(16-22-20)26(28)29/h1-7,16-17H,8-15H2/p+1