5-[4-[(2-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-[(2-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-[(2-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-cyclopropyl-oxazole-4-carbonitrile CAS Name: 5-[4-[(2-cyanophenyl)methyl]-1-piperazin-4-iumyl]-2-cyclopropyl-4-oxazolecarbonitrile IUPAC Name: 5-[4-[(2-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-(2-cyanobenzyl)piperazin-4-ium-1-yl]-2-cyclopropyl-oxazole-4-carbonitrile Formula: C19H20N5O+ MolecularWeight: 334.395

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4C#N)C#N

Isomeric SMILES

C1CC1C2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4C#N)C#N

InChI

InChI=1S/C19H19N5O/c20-11-15-3-1-2-4-16(15)13-23-7-9-24(10-8-23)19-17(12-21)22-18(25-19)14-5-6-14/h1-4,14H,5-10,13H2/p+1