4-(1-adamantyl)-2-(4-methylpiperazine-1,4-diium-1-ylidene)-3H-1,3-thiazole

Systemtic Name: 4-(1-adamantyl)-2-(4-methylpiperazine-1,4-diium-1-ylidene)-3H-1,3-thiazole Openeye Name: 4-(1-adamantyl)-2-(4-methylpiperazine-1,4-diium-1-ylidene)-3H-thiazole CAS Name: 4-(1-adamantyl)-2-(4-methyl-1-piperazine-1,4-diiumylidene)-3H-thiazole IUPAC Name: 4-(1-adamantyl)-2-(4-methylpiperazine-1,4-diium-1-ylidene)-3H-1,3-thiazole Traditional Name: 4-(1-adamantyl)-2-(4-methylpiperazine-1,4-diium-1-ylidene)-4-thiazoline Formula: C18H29N3S+2 MolecularWeight: 319.50796

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[N+](=C2NC(=CS2)C34CC5CC(C3)CC(C5)C4)CC1

Isomeric SMILES

C[NH+]1CC[N+](=C2NC(=CS2)C34CC5CC(C3)CC(C5)C4)CC1

InChI

InChI=1S/C18H27N3S/c1-20-2-4-21(5-3-20)17-19-16(12-22-17)18-9-13-6-14(10-18)8-15(7-13)11-18/h12-15H,2-11H2,1H3/p+2