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

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-(4-nitrophenyl)piperazin-1-ium Formula: C20H26N3O4+ MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-3-27-20-14-16(4-9-19(20)26-2)15-21-10-12-22(13-11-21)17-5-7-18(8-6-17)23(24)25/h4-9,14H,3,10-13,15H2,1-2H3/p+1