1-(3-phenylmethoxyphenyl)-1-propyl-piperidin-1-ium hydrochloride

Systemtic Name: 1-(3-phenylmethoxyphenyl)-1-propyl-piperidin-1-ium hydrochloride Openeye Name: 1-(3-benzyloxyphenyl)-1-propyl-piperidin-1-ium hydrochloride CAS Name: 1-(3-phenylmethoxyphenyl)-1-propylpiperidin-1-ium hydrochloride IUPAC Name: 1-(3-phenylmethoxyphenyl)-1-propylpiperidin-1-ium hydrochloride Traditional Name: 1-(3-benzoxyphenyl)-1-propyl-piperidin-1-ium hydrochloride Formula: C21H29ClNO+ MolecularWeight: 346.91406

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCCCC1)C2=CC(=CC=C2)OCC3=CC=CC=C3.Cl

Isomeric SMILES

CCC[N+]1(CCCCC1)C2=CC(=CC=C2)OCC3=CC=CC=C3.Cl

InChI

InChI=1S/C21H28NO.ClH/c1-2-14-22(15-7-4-8-16-22)20-12-9-13-21(17-20)23-18-19-10-5-3-6-11-19;/h3,5-6,9-13,17H,2,4,7-8,14-16,18H2,1H3;1H/q+1;