[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: [2-(4-methyl-1-piperidyl)-5-nitro-phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [2-(4-methylpiperidin-1-yl)-5-nitrophenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: [2-(4-methylpiperidino)-5-nitro-phenyl]-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C22H27N5O3/c1-17-6-10-25(11-7-17)21-3-2-19(27(29)30)16-20(21)22(28)26-14-12-24(13-15-26)18-4-8-23-9-5-18/h2-5,8-9,16-17H,6-7,10-15H2,1H3/p+1