(E)-3-(2-nitrophenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2-nitrophenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-nitrophenyl)-1-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-nitrophenyl)-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(2-nitrophenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-nitrophenyl)-1-[4-(3-thenyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C18H20N3O3S+ MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O3S/c22-18(6-5-16-3-1-2-4-17(16)21(23)24)20-10-8-19(9-11-20)13-15-7-12-25-14-15/h1-7,12,14H,8-11,13H2/p+1/b6-5+