1-(2-nitro-5-pyrrolidin-1-yl-phenyl)-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(2-nitro-5-pyrrolidin-1-yl-phenyl)-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-ium CAS Name: 1-[2-nitro-5-(1-pyrrolidinyl)phenyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(2-nitro-5-pyrrolidin-1-ylphenyl)piperazin-1-ium Traditional Name: 1-benzyl-4-(2-nitro-5-pyrrolidino-phenyl)piperazin-1-ium Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N4O2/c26-25(27)20-9-8-19(23-10-4-5-11-23)16-21(20)24-14-12-22(13-15-24)17-18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15,17H2/p+1