4-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C18H24N5O3S+ MolecularWeight: 390.47986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=N1)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCC1=NOC(=N1)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H23N5O3S/c1-3-4-17-20-18(26-21-17)14(2)22-9-11-23(12-10-22)27(24,25)16-7-5-15(13-19)6-8-16/h5-8,14H,3-4,9-12H2,1-2H3/p+1/t14-/m0/s1