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

Systemtic Name: 3-[(3R)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbonyl]piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(3-ethyl-5-methyl-isoxazole-4-carbonyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(3-ethyl-5-methyl-4-isoxazolyl)-oxomethyl]-3-piperidinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(3-ethyl-5-methyl-isoxazole-4-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:

CCC1=NOC(=C1C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)N2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C24H33N5O3/c1-3-20-23(18(2)32-26-20)24(31)29-12-6-7-19(17-29)9-10-22(30)28-15-13-27(14-16-28)21-8-4-5-11-25-21/h4-5,8,11,19H,3,6-7,9-10,12-17H2,1-2H3/p+1/t19-/m1/s1