(3R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-N-phenyl-piperidin-1-ium-3-amine

Systemtic Name: (3R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-N-phenyl-piperidin-1-ium-3-amine Openeye Name: (3R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-N-phenyl-piperidin-1-ium-3-amine CAS Name: (3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenyl-3-piperidin-1-iumamine IUPAC Name: (3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-1-ium-3-amine Traditional Name: [(3R)-1-(4-methoxy-2,3-dimethyl-benzyl)piperidin-1-ium-3-yl]-phenyl-amine Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH+]2CCCC(C2)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH+]2CCC[C@H](C2)NC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O/c1-16-17(2)21(24-3)12-11-18(16)14-23-13-7-10-20(15-23)22-19-8-5-4-6-9-19/h4-6,8-9,11-12,20,22H,7,10,13-15H2,1-3H3/p+1/t20-/m1/s1