N-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[(2S)-4-isobutylmorpholin-4-ium-2-yl]methyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[(2S)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[(2S)-4-isobutylmorpholin-4-ium-2-yl]methyl]-3-nitro-4-piperidino-benzamide Formula: C21H33N4O4+ MolecularWeight: 405.51112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC(C1)CNC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[NH+]1CCO[C@H](C1)CNC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H32N4O4/c1-16(2)14-23-10-11-29-18(15-23)13-22-21(26)17-6-7-19(20(12-17)25(27)28)24-8-4-3-5-9-24/h6-7,12,16,18H,3-5,8-11,13-15H2,1-2H3,(H,22,26)/p+1/t18-/m0/s1