(5-chloranyl-2-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]azanium

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-methyl-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]ammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]azanium Traditional Name: (5-chloro-2-methoxy-benzyl)-[2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]-methyl-ammonium Formula: C21H28ClN2O2+ MolecularWeight: 375.91222

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C[NH+](C)CC2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)C[NH+](C)CC2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C21H27ClN2O2/c1-16(9-10-17-7-5-4-6-8-17)23-21(25)15-24(2)14-18-13-19(22)11-12-20(18)26-3/h4-8,11-13,16H,9-10,14-15H2,1-3H3,(H,23,25)/p+1/t16-/m1/s1