[(2R)-2-(2-butoxy-3-methoxy-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium

Systemtic Name: [(2R)-2-(2-butoxy-3-methoxy-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(2-butoxy-3-methoxy-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-(2-butoxy-3-methoxyphenyl)-2-[(3R)-3-methyl-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(2-butoxy-3-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(2-butoxy-3-methoxy-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C19H34N2O2+2 MolecularWeight: 322.48546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC=C1OC)C(C[NH3+])[NH+]2CCCC(C2)C

Isomeric SMILES

CCCCOC1=C(C=CC=C1OC)[C@H](C[NH3+])[NH+]2CCC[C@H](C2)C

InChI

InChI=1S/C19H32N2O2/c1-4-5-12-23-19-16(9-6-10-18(19)22-3)17(13-20)21-11-7-8-15(2)14-21/h6,9-10,15,17H,4-5,7-8,11-14,20H2,1-3H3/p+2/t15-,17+/m1/s1