2-[2-methoxy-4-[(3S)-3-methylpiperidin-1-yl]carbonyl-phenoxy]ethylazanium

Systemtic Name: 2-[2-methoxy-4-[(3S)-3-methylpiperidin-1-yl]carbonyl-phenoxy]ethylazanium Openeye Name: 2-[2-methoxy-4-[(3S)-3-methylpiperidine-1-carbonyl]phenoxy]ethylammonium CAS Name: 2-[2-methoxy-4-[[(3S)-3-methyl-1-piperidinyl]-oxomethyl]phenoxy]ethylammonium IUPAC Name: 2-[2-methoxy-4-[(3S)-3-methylpiperidine-1-carbonyl]phenoxy]ethylazanium Traditional Name: 2-[2-methoxy-4-[(3S)-3-methylpiperidine-1-carbonyl]phenoxy]ethylammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)OCC[NH3+])OC

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C2=CC(=C(C=C2)OCC[NH3+])OC

InChI

InChI=1S/C16H24N2O3/c1-12-4-3-8-18(11-12)16(19)13-5-6-14(21-9-7-17)15(10-13)20-2/h5-6,10,12H,3-4,7-9,11,17H2,1-2H3/p+1/t12-/m0/s1