1-(2-methoxyphenyl)-4-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)piperazine

Systemtic Name: 1-(2-methoxyphenyl)-4-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)piperazine Openeye Name: 1-(2-methoxyphenyl)-4-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)piperazine CAS Name: 1-(2-methoxyphenyl)-4-[2-nitro-5-(1-piperazin-4-iumyl)phenyl]piperazine IUPAC Name: 1-(2-methoxyphenyl)-4-(2-nitro-5-piperazin-4-ium-1-ylphenyl)piperazine Traditional Name: 1-(2-methoxyphenyl)-4-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)piperazine Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC(=C3)N4CC[NH2+]CC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC(=C3)N4CC[NH2+]CC4)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O3/c1-29-21-5-3-2-4-19(21)24-12-14-25(15-13-24)20-16-17(6-7-18(20)26(27)28)23-10-8-22-9-11-23/h2-7,16,22H,8-15H2,1H3/p+1