2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidinophenyl)acetamide Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O3/c28-22(23-18-3-5-19(6-4-18)25-11-1-2-12-25)17-24-13-15-26(16-14-24)20-7-9-21(10-8-20)27(29)30/h3-10H,1-2,11-17H2,(H,23,28)/p+1