8-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-5-nitro-quinoline

Systemtic Name: 8-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-5-nitro-quinoline Openeye Name: 8-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-5-nitro-quinoline CAS Name: 8-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]-5-nitroquinoline IUPAC Name: 8-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-yl]-5-nitroquinoline Traditional Name: 8-[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-yl]-5-nitro-quinoline Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

InChI

InChI=1S/C22H24N4O3/c1-16-5-8-21(29-2)17(14-16)15-24-10-12-25(13-11-24)20-7-6-19(26(27)28)18-4-3-9-23-22(18)20/h3-9,14H,10-13,15H2,1-2H3/p+1