(5-nitro-2-pyrrolidin-1-yl-phenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-nitro-2-pyrrolidin-1-yl-phenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-nitro-2-pyrrolidin-1-yl-phenyl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [5-nitro-2-(1-pyrrolidinyl)phenyl]-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-nitro-2-pyrrolidin-1-ylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-nitro-2-pyrrolidino-phenyl)-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C20H24N4O3S/c25-20(23-11-9-21(10-12-23)15-17-4-3-13-28-17)18-14-16(24(26)27)5-6-19(18)22-7-1-2-8-22/h3-6,13-14H,1-2,7-12,15H2/p+1