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

Systemtic Name: [(2S)-2-[4-(4-methylphenoxy)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-[4-(4-methylphenoxy)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-[4-(4-methylphenoxy)phenyl]-2-(4-methyl-1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-[4-(4-methylphenoxy)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-[4-(4-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=C(C=C3)C

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](C[NH3+])C2=CC=C(C=C2)OC3=CC=C(C=C3)C

InChI

InChI=1S/C21H28N2O/c1-16-3-7-19(8-4-16)24-20-9-5-18(6-10-20)21(15-22)23-13-11-17(2)12-14-23/h3-10,17,21H,11-15,22H2,1-2H3/p+2/t21-/m1/s1