(3S)-1-[4-(2,6-dimethoxyphenoxy)but-2-ynyl]-3-methyl-piperidin-1-ium

Systemtic Name: (3S)-1-[4-(2,6-dimethoxyphenoxy)but-2-ynyl]-3-methyl-piperidin-1-ium Openeye Name: (3S)-1-[4-(2,6-dimethoxyphenoxy)but-2-ynyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-1-[4-(2,6-dimethoxyphenoxy)but-2-ynyl]-3-methylpiperidin-1-ium IUPAC Name: (3S)-1-[4-(2,6-dimethoxyphenoxy)but-2-ynyl]-3-methylpiperidin-1-ium Traditional Name: (3S)-1-[4-(2,6-dimethoxyphenoxy)but-2-ynyl]-3-methyl-piperidin-1-ium Formula: C18H26NO3+ MolecularWeight: 304.40394

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC#CCOC2=C(C=CC=C2OC)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC#CCOC2=C(C=CC=C2OC)OC

InChI

InChI=1S/C18H25NO3/c1-15-8-7-12-19(14-15)11-4-5-13-22-18-16(20-2)9-6-10-17(18)21-3/h6,9-10,15H,7-8,11-14H2,1-3H3/p+1/t15-/m0/s1