3-[(3R)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)carbonyl]piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)carbonyl]piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(5-isopropylisoxazole-3-carbonyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[oxo-(5-propan-2-yl-3-isoxazolyl)methyl]-3-piperidinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(5-isopropylisoxazole-3-carbonyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C24H34N5O3+ MolecularWeight: 440.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NO1)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(C)C1=CC(=NO1)C(=O)N2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H33N5O3/c1-18(2)21-16-20(26-32-21)24(31)29-11-5-6-19(17-29)8-9-23(30)28-14-12-27(13-15-28)22-7-3-4-10-25-22/h3-4,7,10,16,18-19H,5-6,8-9,11-15,17H2,1-2H3/p+1/t19-/m1/s1