methyl-[2-[[(3S)-6-oxidanylidene-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbonylamino]ethyl]-phenethyl-azanium

Systemtic Name: methyl-[2-[[(3S)-6-oxidanylidene-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbonylamino]ethyl]-phenethyl-azanium Openeye Name: methyl-[2-[[(3S)-6-oxo-1-(2-pyridylmethyl)piperidine-3-carbonyl]amino]ethyl]-phenethyl-ammonium CAS Name: methyl-[2-[[oxo-[(3S)-6-oxo-1-(2-pyridinylmethyl)-3-piperidinyl]methyl]amino]ethyl]-phenethylammonium IUPAC Name: methyl-[2-[[(3S)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]ethyl]-phenethylazanium Traditional Name: 2-[[(3S)-6-keto-1-(2-pyridylmethyl)nipecotoyl]amino]ethyl-methyl-phenethyl-ammonium Formula: C23H31N4O2+ MolecularWeight: 395.51784

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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=N3

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CCNC(=O)[C@H]2CCC(=O)N(C2)CC3=CC=CC=N3

InChI

InChI=1S/C23H30N4O2/c1-26(15-12-19-7-3-2-4-8-19)16-14-25-23(29)20-10-11-22(28)27(17-20)18-21-9-5-6-13-24-21/h2-9,13,20H,10-12,14-18H2,1H3,(H,25,29)/p+1/t20-/m0/s1