ethyl-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)carbonyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)carbonyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-(3-isopropylisoxazole-5-carbonyl)-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-[oxo-(3-propan-2-yl-5-isoxazolyl)methyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(3S)-1-(3-isopropylisoxazole-5-carbonyl)-3-piperidyl]-(4-pyridylmethyl)ammonium Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)C3=CC(=NO3)C(C)C

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)C3=CC(=NO3)C(C)C

InChI

InChI=1S/C20H28N4O2/c1-4-23(13-16-7-9-21-10-8-16)17-6-5-11-24(14-17)20(25)19-12-18(15(2)3)22-26-19/h7-10,12,15,17H,4-6,11,13-14H2,1-3H3/p+1/t17-/m0/s1