3-[(2S)-1-[3-(4-methoxy-2-prop-2-enyl-phenoxy)propyl]piperidin-1-ium-2-yl]pyridine

Systemtic Name: 3-[(2S)-1-[3-(4-methoxy-2-prop-2-enyl-phenoxy)propyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2S)-1-[3-(2-allyl-4-methoxy-phenoxy)propyl]piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2S)-1-[3-(4-methoxy-2-prop-2-enylphenoxy)propyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2S)-1-[3-(4-methoxy-2-prop-2-enylphenoxy)propyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2S)-1-[3-(2-allyl-4-methoxy-phenoxy)propyl]piperidin-1-ium-2-yl]pyridine Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCCC[NH+]2CCCCC2C3=CN=CC=C3)CC=C

Isomeric SMILES

COC1=CC(=C(C=C1)OCCC[NH+]2CCCC[C@H]2C3=CN=CC=C3)CC=C

InChI

InChI=1S/C23H30N2O2/c1-3-8-19-17-21(26-2)11-12-23(19)27-16-7-15-25-14-5-4-10-22(25)20-9-6-13-24-18-20/h3,6,9,11-13,17-18,22H,1,4-5,7-8,10,14-16H2,2H3/p+1/t22-/m0/s1