N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-benzamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)-5-nitrobenzamide Traditional Name: 2-(4-benzylpiperidino)-N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-benzamide Formula: C25H33N4O4+ MolecularWeight: 453.55392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C25H32N4O4/c30-25(26-10-13-27-14-16-33-17-15-27)23-19-22(29(31)32)6-7-24(23)28-11-8-21(9-12-28)18-20-4-2-1-3-5-20/h1-7,19,21H,8-18H2,(H,26,30)/p+1