2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-allyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-allyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(2-thenyl)acetamide Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=CS1)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN(CC1=CC=CS1)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O3S/c1-2-9-23(15-19-4-3-14-28-19)20(25)16-21-10-12-22(13-11-21)17-5-7-18(8-6-17)24(26)27/h2-8,14H,1,9-13,15-16H2/p+1