1-[(5-methylfuran-2-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-[(5-methylfuran-2-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(5-methyl-2-furyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(5-methyl-2-furanyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(5-methylfuran-2-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-[(5-methyl-2-furyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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