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

Systemtic Name: 5-[6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]pyridin-3-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole Openeye Name: 5-[6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]-3-pyridyl]-3-(phenoxymethyl)-1,2,4-oxadiazole CAS Name: 5-[6-[(3S)-3-ethyl-4-methyl-1-piperazin-4-iumyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole IUPAC Name: 5-[6-[(3S)-3-ethyl-4-methylpiperazin-4-ium-1-yl]pyridin-3-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole Traditional Name: 5-[6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]-3-pyridyl]-3-(phenoxymethyl)-1,2,4-oxadiazole Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C)C2=NC=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C)C2=NC=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O2/c1-3-17-14-26(12-11-25(17)2)20-10-9-16(13-22-20)21-23-19(24-28-21)15-27-18-7-5-4-6-8-18/h4-10,13,17H,3,11-12,14-15H2,1-2H3/p+1/t17-/m0/s1