N-[2-[(4-methylphenyl)-phenyl-methoxy]ethyl]piperidin-1-ium-1-amine chloride

Systemtic Name: N-[2-[(4-methylphenyl)-phenyl-methoxy]ethyl]piperidin-1-ium-1-amine chloride Openeye Name: N-[2-[phenyl(p-tolyl)methoxy]ethyl]piperidin-1-ium-1-amine chloride CAS Name: N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-piperidin-1-iumamine chloride IUPAC Name: N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperidin-1-ium-1-amine chloride Traditional Name: 2-[phenyl(p-tolyl)methoxy]ethyl-piperidin-1-ium-1-yl-amine chloride Formula: C21H29ClN2O MolecularWeight: 360.92076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN[NH+]3CCCCC3.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN[NH+]3CCCCC3.[Cl-]

InChI

InChI=1S/C21H28N2O.ClH/c1-18-10-12-20(13-11-18)21(19-8-4-2-5-9-19)24-17-14-22-23-15-6-3-7-16-23;/h2,4-5,8-13,21-22H,3,6-7,14-17H2,1H3;1H