3-nitro-4-piperidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 3-nitro-4-piperidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Openeye Name: 3-nitro-4-(1-piperidyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide CAS Name: 3-nitro-4-(1-piperidinyl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 3-nitro-4-piperidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Traditional Name: 3-nitro-4-piperidino-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C21H32N4O3/c1-20(2)13-16(14-21(3,4)23-20)22-19(26)15-8-9-17(18(12-15)25(27)28)24-10-6-5-7-11-24/h8-9,12,16,23H,5-7,10-11,13-14H2,1-4H3,(H,22,26)/p+1