1-[3-methyl-3-(5-methylfuran-2-yl)butyl]-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-[3-methyl-3-(5-methylfuran-2-yl)butyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[3-methyl-3-(5-methyl-2-furyl)butyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[3-methyl-3-(5-methyl-2-furanyl)butyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[3-methyl-3-(5-methylfuran-2-yl)butyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-[3-methyl-3-(5-methyl-2-furyl)butyl]-4-(4-nitrophenyl)piperazin-1-ium Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3/c1-16-4-9-19(26-16)20(2,3)10-11-21-12-14-22(15-13-21)17-5-7-18(8-6-17)23(24)25/h4-9H,10-15H2,1-3H3/p+1