[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)phenyl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)phenyl]-piperazin-4-ium-1-yl-methanone Openeye Name: [4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)phenyl]-piperazin-4-ium-1-yl-methanone CAS Name: [4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)phenyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)phenyl]-piperazin-4-ium-1-ylmethanone Traditional Name: [4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)phenyl]-piperazin-4-ium-1-yl-methanone Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=N2)C3=CC=C(C=C3)C(=O)N4CC[NH2+]CC4

Isomeric SMILES

C1CC2=C(C1)SC(=N2)C3=CC=C(C=C3)C(=O)N4CC[NH2+]CC4

InChI

InChI=1S/C17H19N3OS/c21-17(20-10-8-18-9-11-20)13-6-4-12(5-7-13)16-19-14-2-1-3-15(14)22-16/h4-7,18H,1-3,8-11H2/p+1