(3S)-1-[2-[2-(2-methoxy-4-methyl-phenoxy)ethoxy]ethyl]-3-methyl-piperidin-1-ium

Systemtic Name: (3S)-1-[2-[2-(2-methoxy-4-methyl-phenoxy)ethoxy]ethyl]-3-methyl-piperidin-1-ium Openeye Name: (3S)-1-[2-[2-(2-methoxy-4-methyl-phenoxy)ethoxy]ethyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-1-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethyl]-3-methylpiperidin-1-ium IUPAC Name: (3S)-1-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethyl]-3-methylpiperidin-1-ium Traditional Name: (3S)-1-[2-[2-(2-methoxy-4-methyl-phenoxy)ethoxy]ethyl]-3-methyl-piperidin-1-ium Formula: C18H30NO3+ MolecularWeight: 308.4357

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCOCCOC2=C(C=C(C=C2)C)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCOCCOC2=C(C=C(C=C2)C)OC

InChI

InChI=1S/C18H29NO3/c1-15-6-7-17(18(13-15)20-3)22-12-11-21-10-9-19-8-4-5-16(2)14-19/h6-7,13,16H,4-5,8-12,14H2,1-3H3/p+1/t16-/m0/s1