[(2S)-2-[4-(3-methylphenoxy)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-[4-(3-methylphenoxy)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-[4-(3-methylphenoxy)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-[4-(3-methylphenoxy)phenyl]-2-(4-methyl-1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-[4-(3-methylphenoxy)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-[4-(3-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(=C3)C

Isomeric SMILES

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

InChI

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