N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(4-morpholin-4-iumylmethyl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C[NH+]4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C[NH+]4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c27-22(18-5-8-20(21(15-18)26(28)29)25-9-1-2-10-25)23-19-6-3-17(4-7-19)16-24-11-13-30-14-12-24/h3-8,15H,1-2,9-14,16H2,(H,23,27)/p+1