(4-methylpiperazin-4-ium-1-yl)-[5-(3-nitrophenyl)furan-2-yl]methanethione

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[5-(3-nitrophenyl)furan-2-yl]methanethione Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[5-(3-nitrophenyl)-2-furyl]methanethione CAS Name: (4-methyl-1-piperazin-4-iumyl)-[5-(3-nitrophenyl)-2-furanyl]methanethione IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[5-(3-nitrophenyl)furan-2-yl]methanethione Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[5-(3-nitrophenyl)-2-furyl]methanethione Formula: C16H18N3O3S+ MolecularWeight: 332.39742

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O3S/c1-17-7-9-18(10-8-17)16(23)15-6-5-14(22-15)12-3-2-4-13(11-12)19(20)21/h2-6,11H,7-10H2,1H3/p+1