N-(3,5-dimethoxyphenyl)-1-phenethyl-piperidin-1-ium-4-amine

Systemtic Name: N-(3,5-dimethoxyphenyl)-1-phenethyl-piperidin-1-ium-4-amine Openeye Name: N-(3,5-dimethoxyphenyl)-1-phenethyl-piperidin-1-ium-4-amine CAS Name: N-(3,5-dimethoxyphenyl)-1-phenethyl-4-piperidin-1-iumamine IUPAC Name: N-(3,5-dimethoxyphenyl)-1-phenethylpiperidin-1-ium-4-amine Traditional Name: (3,5-dimethoxyphenyl)-(1-phenethylpiperidin-1-ium-4-yl)amine Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC2CC[NH+](CC2)CCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC2CC[NH+](CC2)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H28N2O2/c1-24-20-14-19(15-21(16-20)25-2)22-18-9-12-23(13-10-18)11-8-17-6-4-3-5-7-17/h3-7,14-16,18,22H,8-13H2,1-2H3/p+1