4-methoxy-2-[[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]methyl]phenol

Systemtic Name: 4-methoxy-2-[[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 4-methoxy-2-[[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]methyl]phenol CAS Name: 4-methoxy-2-[[4-[(3-nitrophenyl)methyl]-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 4-methoxy-2-[[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 4-methoxy-2-[[4-(3-nitrobenzyl)piperazin-4-ium-1-yl]methyl]phenol Formula: C19H24N3O4+ MolecularWeight: 358.41156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)CN2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)O)CN2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4/c1-26-18-5-6-19(23)16(12-18)14-21-9-7-20(8-10-21)13-15-3-2-4-17(11-15)22(24)25/h2-6,11-12,23H,7-10,13-14H2,1H3/p+1