(3S)-3-methyl-1-[3-(3-methyl-4-propan-2-yl-phenoxy)propyl]piperidin-1-ium

Systemtic Name: (3S)-3-methyl-1-[3-(3-methyl-4-propan-2-yl-phenoxy)propyl]piperidin-1-ium Openeye Name: (3S)-1-[3-(4-isopropyl-3-methyl-phenoxy)propyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-3-methyl-1-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]piperidin-1-ium IUPAC Name: (3S)-3-methyl-1-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]piperidin-1-ium Traditional Name: (3S)-1-[3-(4-isopropyl-3-methyl-phenoxy)propyl]-3-methyl-piperidin-1-ium Formula: C19H32NO+ MolecularWeight: 290.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCOC2=CC(=C(C=C2)C(C)C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCCOC2=CC(=C(C=C2)C(C)C)C

InChI

InChI=1S/C19H31NO/c1-15(2)19-9-8-18(13-17(19)4)21-12-6-11-20-10-5-7-16(3)14-20/h8-9,13,15-16H,5-7,10-12,14H2,1-4H3/p+1/t16-/m0/s1