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

Systemtic Name: 2-azanyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-thiazole-5-carbonitrile Openeye Name: 2-amino-4-(4-benzylpiperazin-4-ium-1-yl)thiazole-5-carbonitrile CAS Name: 2-amino-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5-thiazolecarbonitrile IUPAC Name: 2-amino-4-(4-benzylpiperazin-4-ium-1-yl)-1,3-thiazole-5-carbonitrile Traditional Name: 2-amino-4-(4-benzylpiperazin-4-ium-1-yl)thiazole-5-carbonitrile Formula: C15H18N5S+ MolecularWeight: 300.40192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(SC(=N3)N)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(SC(=N3)N)C#N

InChI

InChI=1S/C15H17N5S/c16-10-13-14(18-15(17)21-13)20-8-6-19(7-9-20)11-12-4-2-1-3-5-12/h1-5H,6-9,11H2,(H2,17,18)/p+1