5-[6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-3-phenethyl-1,2,4-oxadiazole

Systemtic Name: 5-[6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-3-phenethyl-1,2,4-oxadiazole Openeye Name: 5-[6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-3-phenethyl-1,2,4-oxadiazole CAS Name: 5-[6-[(3S)-3-ethyl-4-methyl-1-piperazin-4-iumyl]-3-pyridin-1-iumyl]-3-phenethyl-1,2,4-oxadiazole IUPAC Name: 5-[6-[(3S)-3-ethyl-4-methylpiperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-3-phenethyl-1,2,4-oxadiazole Traditional Name: 5-[6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-3-phenethyl-1,2,4-oxadiazole Formula: C22H29N5O+2 MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CCC4=CC=CC=C4

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O/c1-3-19-16-27(14-13-26(19)2)21-12-10-18(15-23-21)22-24-20(25-28-22)11-9-17-7-5-4-6-8-17/h4-8,10,12,15,19H,3,9,11,13-14,16H2,1-2H3/p+2/t19-/m0/s1