1-[3-(5-methyl-2-nitro-phenoxy)propyl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[3-(5-methyl-2-nitro-phenoxy)propyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[3-(5-methyl-2-nitro-phenoxy)propyl]piperazin-4-ium CAS Name: 1-[3-(5-methyl-2-nitrophenoxy)propyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[3-(5-methyl-2-nitrophenoxy)propyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[3-(5-methyl-2-nitro-phenoxy)propyl]piperazin-4-ium Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCC[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCC[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3/c1-18-8-9-20(24(25)26)21(16-18)27-15-5-10-22-11-13-23(14-12-22)17-19-6-3-2-4-7-19/h2-4,6-9,16H,5,10-15,17H2,1H3/p+1