cyclopentylmethyl-[(3,4-dimethoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: cyclopentylmethyl-[(3,4-dimethoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: cyclopentylmethyl-[(3,4-dimethoxyphenyl)methyl]-(4-pyridylmethyl)ammonium CAS Name: cyclopentylmethyl-[(3,4-dimethoxyphenyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: cyclopentylmethyl-[(3,4-dimethoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: cyclopentylmethyl-(4-pyridylmethyl)-veratryl-ammonium Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+](CC2CCCC2)CC3=CC=NC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+](CC2CCCC2)CC3=CC=NC=C3)OC

InChI

InChI=1S/C21H28N2O2/c1-24-20-8-7-19(13-21(20)25-2)16-23(14-17-5-3-4-6-17)15-18-9-11-22-12-10-18/h7-13,17H,3-6,14-16H2,1-2H3/p+1