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

Systemtic Name: 5-[6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-3-(phenylmethyl)-1,2,4-oxadiazole Openeye Name: 3-benzyl-5-[6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-1,2,4-oxadiazole CAS Name: 5-[6-[(3S)-3-ethyl-4-methyl-1-piperazin-4-iumyl]-3-pyridin-1-iumyl]-3-(phenylmethyl)-1,2,4-oxadiazole IUPAC Name: 3-benzyl-5-[6-[(3S)-3-ethyl-4-methylpiperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-1,2,4-oxadiazole Traditional Name: 3-benzyl-5-[6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-1,2,4-oxadiazole Formula: C21H27N5O+2 MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CC4=CC=CC=C4

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O/c1-3-18-15-26(12-11-25(18)2)20-10-9-17(14-22-20)21-23-19(24-27-21)13-16-7-5-4-6-8-16/h4-10,14,18H,3,11-13,15H2,1-2H3/p+2/t18-/m0/s1