1-(3-methoxyphenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(3-methoxyphenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-methoxyphenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(3-methoxyphenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-methoxyphenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-methoxyphenyl)-4-(2-nitrobenzyl)piperazin-4-ium Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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