[(3S)-1-(5-methoxy-5-oxidanylidene-pentanoyl)piperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-(5-methoxy-5-oxidanylidene-pentanoyl)piperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-(5-methoxy-5-oxo-pentanoyl)-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-(5-methoxy-1,5-dioxopentyl)-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-(5-methoxy-5-oxopentanoyl)piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-(5-keto-5-methoxy-pentanoyl)-3-piperidyl]-methyl-phenethyl-ammonium Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)C(=O)CCCC(=O)OC

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)CCCC(=O)OC

InChI

InChI=1S/C20H30N2O3/c1-21(15-13-17-8-4-3-5-9-17)18-10-7-14-22(16-18)19(23)11-6-12-20(24)25-2/h3-5,8-9,18H,6-7,10-16H2,1-2H3/p+1/t18-/m0/s1