1-(4-methoxyphenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-methoxyphenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)-4-(2-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/c1-24-17-8-6-16(7-9-17)20-12-10-19(11-13-20)14-15-4-2-3-5-18(15)21(22)23/h2-9H,10-14H2,1H3/p+1