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

Systemtic Name: N-[3-(4-methoxyphenyl)propyl]-6-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-carboxamide Openeye Name: 6-[(3S)-3-hydroxy-1-piperidyl]-N-[3-(4-methoxyphenyl)propyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[(3S)-3-hydroxy-1-piperidinyl]-N-[3-(4-methoxyphenyl)propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[(3S)-3-hydroxypiperidin-1-yl]-N-[3-(4-methoxyphenyl)propyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-[(3S)-3-hydroxypiperidino]-N-[3-(4-methoxyphenyl)propyl]pyridin-1-ium-3-carboxamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCNC(=O)C2=C[NH+]=C(C=C2)N3CCCC(C3)O

Isomeric SMILES

COC1=CC=C(C=C1)CCCNC(=O)C2=C[NH+]=C(C=C2)N3CCC[C@@H](C3)O

InChI

InChI=1S/C21H27N3O3/c1-27-19-9-6-16(7-10-19)4-2-12-22-21(26)17-8-11-20(23-14-17)24-13-3-5-18(25)15-24/h6-11,14,18,25H,2-5,12-13,15H2,1H3,(H,22,26)/p+1/t18-/m0/s1