(1-methylpiperidin-1-ium-4-yl)-[(R)-phenyl-(4-propan-2-yloxyphenyl)methyl]azanium

Systemtic Name: (1-methylpiperidin-1-ium-4-yl)-[(R)-phenyl-(4-propan-2-yloxyphenyl)methyl]azanium Openeye Name: [(R)-(4-isopropoxyphenyl)-phenyl-methyl]-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: (1-methyl-4-piperidin-1-iumyl)-[(R)-phenyl-(4-propan-2-yloxyphenyl)methyl]ammonium IUPAC Name: (1-methylpiperidin-1-ium-4-yl)-[(R)-phenyl-(4-propan-2-yloxyphenyl)methyl]azanium Traditional Name: [(R)-(4-isopropoxyphenyl)-phenyl-methyl]-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C22H32N2O+2 MolecularWeight: 340.50228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(C2=CC=CC=C2)[NH2+]C3CC[NH+](CC3)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@@H](C2=CC=CC=C2)[NH2+]C3CC[NH+](CC3)C

InChI

InChI=1S/C22H30N2O/c1-17(2)25-21-11-9-19(10-12-21)22(18-7-5-4-6-8-18)23-20-13-15-24(3)16-14-20/h4-12,17,20,22-23H,13-16H2,1-3H3/p+2/t22-/m1/s1