N,N-diethyl-2-[4-[4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[[4-[(3S)-3-methyl-1-piperidinyl]-3-nitrophenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[4-[(3S)-3-methylpiperidino]-3-nitro-benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H36N5O4+ MolecularWeight: 446.56304

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCC[C@@H](C3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H35N5O4/c1-4-25(5-2)22(29)17-24-11-13-26(14-12-24)23(30)19-8-9-20(21(15-19)28(31)32)27-10-6-7-18(3)16-27/h8-9,15,18H,4-7,10-14,16-17H2,1-3H3/p+1/t18-/m0/s1