[(2R)-2-(azepan-1-ium-1-yl)-2-[4-(3-methylphenoxy)phenyl]ethyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-[4-(3-methylphenoxy)phenyl]ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-[4-(3-methylphenoxy)phenyl]ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-[4-(3-methylphenoxy)phenyl]ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-[4-(3-methylphenoxy)phenyl]ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-[4-(3-methylphenoxy)phenyl]ethyl]ammonium Formula: C21H30N2O+2 MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC=C(C=C2)C(C[NH3+])[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC=C(C=C2)[C@H](C[NH3+])[NH+]3CCCCCC3

InChI

InChI=1S/C21H28N2O/c1-17-7-6-8-20(15-17)24-19-11-9-18(10-12-19)21(16-22)23-13-4-2-3-5-14-23/h6-12,15,21H,2-5,13-14,16,22H2,1H3/p+2/t21-/m0/s1