4-nitro-N-(phenylmethyl)-N-[3-[4-(phenylmethyl)morpholin-4-ium-4-yl]propyl]benzamide

Systemtic Name: 4-nitro-N-(phenylmethyl)-N-[3-[4-(phenylmethyl)morpholin-4-ium-4-yl]propyl]benzamide Openeye Name: N-benzyl-N-[3-(4-benzylmorpholin-4-ium-4-yl)propyl]-4-nitro-benzamide CAS Name: 4-nitro-N-(phenylmethyl)-N-[3-[4-(phenylmethyl)-4-morpholin-4-iumyl]propyl]benzamide IUPAC Name: N-benzyl-N-[3-(4-benzylmorpholin-4-ium-4-yl)propyl]-4-nitrobenzamide Traditional Name: N-benzyl-N-[3-(4-benzylmorpholin-4-ium-4-yl)propyl]-4-nitro-benzamide Formula: C28H32N3O4+ MolecularWeight: 474.57138

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(CCCN(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1COCC[N+]1(CCCN(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C28H32N3O4/c32-28(26-12-14-27(15-13-26)30(33)34)29(22-24-8-3-1-4-9-24)16-7-17-31(18-20-35-21-19-31)23-25-10-5-2-6-11-25/h1-6,8-15H,7,16-23H2/q+1