1-[2-(3-methyl-4-nitro-phenoxy)ethyl]-4-(phenylmethyl)piperidin-1-ium

Systemtic Name: 1-[2-(3-methyl-4-nitro-phenoxy)ethyl]-4-(phenylmethyl)piperidin-1-ium Openeye Name: 4-benzyl-1-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperidin-1-ium CAS Name: 1-[2-(3-methyl-4-nitrophenoxy)ethyl]-4-(phenylmethyl)piperidin-1-ium IUPAC Name: 4-benzyl-1-[2-(3-methyl-4-nitrophenoxy)ethyl]piperidin-1-ium Traditional Name: 4-benzyl-1-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperidin-1-ium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-17-15-20(7-8-21(17)23(24)25)26-14-13-22-11-9-19(10-12-22)16-18-5-3-2-4-6-18/h2-8,15,19H,9-14,16H2,1H3/p+1