1-ethyl-4-[(2-methoxyphenyl)-phenyl-methyl]-1-methyl-piperazin-1-ium iodide

Systemtic Name: 1-ethyl-4-[(2-methoxyphenyl)-phenyl-methyl]-1-methyl-piperazin-1-ium iodide Openeye Name: 1-ethyl-4-[(2-methoxyphenyl)-phenyl-methyl]-1-methyl-piperazin-1-ium iodide CAS Name: 1-ethyl-4-[(2-methoxyphenyl)-phenylmethyl]-1-methylpiperazin-1-ium iodide IUPAC Name: 1-ethyl-4-[(2-methoxyphenyl)-phenylmethyl]-1-methylpiperazin-1-ium iodide Traditional Name: 1-ethyl-4-[(2-methoxyphenyl)-phenyl-methyl]-1-methyl-piperazin-1-ium iodide Formula: C21H29IN2O MolecularWeight: 452.37223

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3OC)C.[I-]

Isomeric SMILES

CC[N+]1(CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3OC)C.[I-]

InChI

InChI=1S/C21H29N2O.HI/c1-4-23(2)16-14-22(15-17-23)21(18-10-6-5-7-11-18)19-12-8-9-13-20(19)24-3;/h5-13,21H,4,14-17H2,1-3H3;1H/q+1;/p-1