2-[4-[4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-phenyl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-phenyl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[4-[(3S)-3-methyl-1-piperidinyl]-3-nitrophenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[4-[(3S)-3-methylpiperidino]-3-nitro-benzoyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C24H36N5O4+ MolecularWeight: 458.57374

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H35N5O4/c1-19-6-5-11-28(17-19)21-8-7-20(16-22(21)29(32)33)24(31)27-14-12-25(13-15-27)18-23(30)26-9-3-2-4-10-26/h7-8,16,19H,2-6,9-15,17-18H2,1H3/p+1/t19-/m0/s1