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

Systemtic Name: 1-[(2-methylfuran-3-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(2-methyl-3-furyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(2-methyl-3-furanyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(2-methylfuran-3-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-[(2-methyl-3-furyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CO1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O3/c1-13-14(6-11-22-13)12-17-7-9-18(10-8-17)15-2-4-16(5-3-15)19(20)21/h2-6,11H,7-10,12H2,1H3/p+1