2-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxidanylidene-piperidin-3-yl]carbonylamino]ethyl-methyl-phenethyl-azanium

Systemtic Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxidanylidene-piperidin-3-yl]carbonylamino]ethyl-methyl-phenethyl-azanium Openeye Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxo-piperidine-3-carbonyl]amino]ethyl-methyl-phenethyl-ammonium CAS Name: 2-[[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxo-3-piperidinyl]-oxomethyl]amino]ethyl-methyl-phenethylammonium IUPAC Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]ethyl-methyl-phenethylazanium Traditional Name: 2-[[(3R)-6-keto-1-o-anisyl-nipecotoyl]amino]ethyl-methyl-phenethyl-ammonium Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CCNC(=O)C2CCC(=O)N(C2)CC3=CC=CC=C3OC

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CCNC(=O)[C@@H]2CCC(=O)N(C2)CC3=CC=CC=C3OC

InChI

InChI=1S/C25H33N3O3/c1-27(16-14-20-8-4-3-5-9-20)17-15-26-25(30)22-12-13-24(29)28(19-22)18-21-10-6-7-11-23(21)31-2/h3-11,22H,12-19H2,1-2H3,(H,26,30)/p+1/t22-/m1/s1