5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-isopropyl-oxazole-4-carbonitrile CAS Name: 5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propan-2-yl-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-propan-2-yl-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-isopropyl-oxazole-4-carbonitrile Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(O1)N2CC[NH+](CC2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)C1=NC(=C(O1)N2CC[NH+](CC2)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C18H22N4O/c1-14(2)17-20-16(12-19)18(23-17)22-10-8-21(9-11-22)13-15-6-4-3-5-7-15/h3-7,14H,8-11,13H2,1-2H3/p+1