1-ethyl-1-methyl-4-[(4-nitrophenyl)-phenyl-methyl]piperazin-1-ium iodide

Systemtic Name: 1-ethyl-1-methyl-4-[(4-nitrophenyl)-phenyl-methyl]piperazin-1-ium iodide Openeye Name: 1-ethyl-1-methyl-4-[(4-nitrophenyl)-phenyl-methyl]piperazin-1-ium iodide CAS Name: 1-ethyl-1-methyl-4-[(4-nitrophenyl)-phenylmethyl]piperazin-1-ium iodide IUPAC Name: 1-ethyl-1-methyl-4-[(4-nitrophenyl)-phenylmethyl]piperazin-1-ium iodide Traditional Name: 1-ethyl-1-methyl-4-[(4-nitrophenyl)-phenyl-methyl]piperazin-1-ium iodide Formula: C20H26IN3O2 MolecularWeight: 467.34381

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C.[I-]

Isomeric SMILES

CC[N+]1(CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C.[I-]

InChI

InChI=1S/C20H26N3O2.HI/c1-3-23(2)15-13-21(14-16-23)20(17-7-5-4-6-8-17)18-9-11-19(12-10-18)22(24)25;/h4-12,20H,3,13-16H2,1-2H3;1H/q+1;/p-1