N-[3-(4-methoxyphenyl)propyl]-6-[(3S)-3-methoxypiperidin-1-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3-(4-methoxyphenyl)propyl]-6-[(3S)-3-methoxypiperidin-1-yl]pyridin-1-ium-3-carboxamide Openeye Name: N-[3-(4-methoxyphenyl)propyl]-6-[(3S)-3-methoxy-1-piperidyl]pyridin-1-ium-3-carboxamide CAS Name: N-[3-(4-methoxyphenyl)propyl]-6-[(3S)-3-methoxy-1-piperidinyl]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-(4-methoxyphenyl)propyl]-6-[(3S)-3-methoxypiperidin-1-yl]pyridin-1-ium-3-carboxamide Traditional Name: N-[3-(4-methoxyphenyl)propyl]-6-[(3S)-3-methoxypiperidino]pyridin-1-ium-3-carboxamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCN(C1)C2=[NH+]C=C(C=C2)C(=O)NCCCC3=CC=C(C=C3)OC

Isomeric SMILES

CO[C@H]1CCCN(C1)C2=[NH+]C=C(C=C2)C(=O)NCCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O3/c1-27-19-10-7-17(8-11-19)5-3-13-23-22(26)18-9-12-21(24-15-18)25-14-4-6-20(16-25)28-2/h7-12,15,20H,3-6,13-14,16H2,1-2H3,(H,23,26)/p+1/t20-/m0/s1