[4-methoxy-3-[(2S)-1-oxidanylidene-1-(pentylamino)propan-2-yl]oxy-phenyl]methylazanium

Systemtic Name: [4-methoxy-3-[(2S)-1-oxidanylidene-1-(pentylamino)propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [4-methoxy-3-[(1S)-1-methyl-2-oxo-2-(pentylamino)ethoxy]phenyl]methylammonium CAS Name: [4-methoxy-3-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]methylammonium IUPAC Name: [4-methoxy-3-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]methylazanium Traditional Name: [3-[(1S)-2-(amylamino)-2-keto-1-methyl-ethoxy]-4-methoxy-benzyl]ammonium Formula: C16H27N2O3+ MolecularWeight: 295.39718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(C)OC1=C(C=CC(=C1)C[NH3+])OC

Isomeric SMILES

CCCCCNC(=O)[C@H](C)OC1=C(C=CC(=C1)C[NH3+])OC

InChI

InChI=1S/C16H26N2O3/c1-4-5-6-9-18-16(19)12(2)21-15-10-13(11-17)7-8-14(15)20-3/h7-8,10,12H,4-6,9,11,17H2,1-3H3,(H,18,19)/p+1/t12-/m0/s1