3-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-nitro-1,3-benzoxazol-2-one CAS Name: 3-[[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]-5-nitro-1,3-benzoxazol-2-one Formula: C20H24N4O4+2 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C20H22N4O4/c1-15-3-2-4-16(11-15)13-21-7-9-22(10-8-21)14-23-18-12-17(24(26)27)5-6-19(18)28-20(23)25/h2-6,11-12H,7-10,13-14H2,1H3/p+2