1-(4-methoxyphenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-methoxyphenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)-4-(3-nitrobenzyl)piperazin-4-ium Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3/c1-24-18-7-5-16(6-8-18)20-11-9-19(10-12-20)14-15-3-2-4-17(13-15)21(22)23/h2-8,13H,9-12,14H2,1H3/p+1