[4-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethoxy]-3-chloranyl-5-methoxy-phenyl]methylazanium

Systemtic Name: [4-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethoxy]-3-chloranyl-5-methoxy-phenyl]methylazanium Openeye Name: [3-chloro-5-methoxy-4-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-3-chloro-5-methoxyphenyl]methylammonium IUPAC Name: [4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-3-chloro-5-methoxyphenyl]methylazanium Traditional Name: [3-chloro-4-[2-keto-2-[[(1S)-1-methylpropyl]amino]ethoxy]-5-methoxy-benzyl]ammonium Formula: C14H22ClN2O3+ MolecularWeight: 301.78908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC1=C(C=C(C=C1Cl)C[NH3+])OC

Isomeric SMILES

CC[C@H](C)NC(=O)COC1=C(C=C(C=C1Cl)C[NH3+])OC

InChI

InChI=1S/C14H21ClN2O3/c1-4-9(2)17-13(18)8-20-14-11(15)5-10(7-16)6-12(14)19-3/h5-6,9H,4,7-8,16H2,1-3H3,(H,17,18)/p+1/t9-/m0/s1