ethyl-[(3S)-1-(4-methoxy-4-oxidanylidene-butanoyl)piperidin-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3S)-1-(4-methoxy-4-oxidanylidene-butanoyl)piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-(4-methoxy-4-oxo-butanoyl)-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-(4-methoxy-1,4-dioxobutyl)-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-(4-methoxy-4-oxobutanoyl)piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(3S)-1-(4-keto-4-methoxy-butanoyl)-3-piperidyl]-(4-pyridylmethyl)ammonium Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)CCC(=O)OC

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)CCC(=O)OC

InChI

InChI=1S/C18H27N3O3/c1-3-20(13-15-8-10-19-11-9-15)16-5-4-12-21(14-16)17(22)6-7-18(23)24-2/h8-11,16H,3-7,12-14H2,1-2H3/p+1/t16-/m0/s1