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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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