[(1R)-1-(3-methoxy-4-oxidanyl-phenyl)ethyl]-(1-propylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(1R)-1-(3-methoxy-4-oxidanyl-phenyl)ethyl]-(1-propylpiperidin-1-ium-4-yl)azanium Openeye Name: [(1R)-1-(4-hydroxy-3-methoxy-phenyl)ethyl]-(1-propylpiperidin-1-ium-4-yl)ammonium CAS Name: [(1R)-1-(4-hydroxy-3-methoxyphenyl)ethyl]-(1-propyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(1R)-1-(4-hydroxy-3-methoxyphenyl)ethyl]-(1-propylpiperidin-1-ium-4-yl)azanium Traditional Name: [(1R)-1-(4-hydroxy-3-methoxy-phenyl)ethyl]-(1-propylpiperidin-1-ium-4-yl)ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH2+]C(C)C2=CC(=C(C=C2)O)OC

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH2+][C@H](C)C2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C17H28N2O2/c1-4-9-19-10-7-15(8-11-19)18-13(2)14-5-6-16(20)17(12-14)21-3/h5-6,12-13,15,18,20H,4,7-11H2,1-3H3/p+2/t13-/m1/s1