1-[(3-methylthiophen-2-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-[(3-methylthiophen-2-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(3-methyl-2-thienyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(3-methyl-2-thiophenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(3-methylthiophen-2-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-[(3-methyl-2-thienyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Formula: C16H20N3O2S+ MolecularWeight: 318.4139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O2S/c1-13-6-11-22-16(13)12-17-7-9-18(10-8-17)14-2-4-15(5-3-14)19(20)21/h2-6,11H,7-10,12H2,1H3/p+1