1-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-ethoxy-3-methoxy-benzyl)-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C20H26N3O6S+ MolecularWeight: 436.50194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C20H25N3O6S/c1-3-29-18-9-8-16(14-19(18)28-2)15-21-10-12-22(13-11-21)30(26,27)20-7-5-4-6-17(20)23(24)25/h4-9,14H,3,10-13,15H2,1-2H3/p+1