1-[2-[2-(5-methyl-2-nitro-phenoxy)ethoxy]ethyl]-4-(phenylmethyl)piperidin-1-ium

Systemtic Name: 1-[2-[2-(5-methyl-2-nitro-phenoxy)ethoxy]ethyl]-4-(phenylmethyl)piperidin-1-ium Openeye Name: 4-benzyl-1-[2-[2-(5-methyl-2-nitro-phenoxy)ethoxy]ethyl]piperidin-1-ium CAS Name: 1-[2-[2-(5-methyl-2-nitrophenoxy)ethoxy]ethyl]-4-(phenylmethyl)piperidin-1-ium IUPAC Name: 4-benzyl-1-[2-[2-(5-methyl-2-nitrophenoxy)ethoxy]ethyl]piperidin-1-ium Traditional Name: 4-benzyl-1-[2-[2-(5-methyl-2-nitro-phenoxy)ethoxy]ethyl]piperidin-1-ium Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4/c1-19-7-8-22(25(26)27)23(17-19)29-16-15-28-14-13-24-11-9-21(10-12-24)18-20-5-3-2-4-6-20/h2-8,17,21H,9-16,18H2,1H3/p+1