[(2S)-2-[4-(2-methylphenoxy)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-[4-(2-methylphenoxy)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-[4-(2-methylphenoxy)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-[4-(2-methylphenoxy)phenyl]-2-(4-methyl-1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-[4-(2-methylphenoxy)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-[4-(2-methylphenoxy)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)ethyl]ammonium Formula: C21H30N2O+2 MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C[NH3+])C2=CC=C(C=C2)OC3=CC=CC=C3C

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](C[NH3+])C2=CC=C(C=C2)OC3=CC=CC=C3C

InChI

InChI=1S/C21H28N2O/c1-16-11-13-23(14-12-16)20(15-22)18-7-9-19(10-8-18)24-21-6-4-3-5-17(21)2/h3-10,16,20H,11-15,22H2,1-2H3/p+2/t20-/m1/s1