azepan-1-yl-[1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C18H30N5O3+ MolecularWeight: 364.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H29N5O3/c1-14-17(23(25)26)15(2)22(19-14)13-20-11-7-16(8-12-20)18(24)21-9-5-3-4-6-10-21/h16H,3-13H2,1-2H3/p+1