1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-(2-nitrobenzyl)piperazine-1,4-diium Formula: C21H29N3O4+2 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C21H27N3O4/c1-3-28-21-14-17(8-9-20(21)27-2)15-22-10-12-23(13-11-22)16-18-6-4-5-7-19(18)24(25)26/h4-9,14H,3,10-13,15-16H2,1-2H3/p+2