N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridin-1-ium-3-carboxamide

Systemtic Name: N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridin-1-ium-3-carboxamide Openeye Name: N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridin-1-ium-3-carboxamide CAS Name: N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridin-1-iumcarboxamide IUPAC Name: N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridin-1-ium-3-carboxamide Traditional Name: N-cyclohexyl-6-(homoveratrylamino)pyridin-1-ium-3-carboxamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=[NH+]C=C(C=C2)C(=O)NC3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=[NH+]C=C(C=C2)C(=O)NC3CCCCC3)OC

InChI

InChI=1S/C22H29N3O3/c1-27-19-10-8-16(14-20(19)28-2)12-13-23-21-11-9-17(15-24-21)22(26)25-18-6-4-3-5-7-18/h8-11,14-15,18H,3-7,12-13H2,1-2H3,(H,23,24)(H,25,26)/p+1