N-tert-butyl-2-[4-[[4-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[[4-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[4-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[4-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-thiazolyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[4-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]methyl]piperazin-1-ium-1-yl]acetamide Formula: C23H36N5OS+ MolecularWeight: 430.62984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C3=CSC(=N3)CN4CC[NH+](CC4)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C3=CSC(=N3)CN4CC[NH+](CC4)CC(=O)NC(C)(C)C

InChI

InChI=1S/C23H35N5OS/c1-16-12-19(17(2)28(16)18-6-7-18)20-15-30-22(24-20)14-27-10-8-26(9-11-27)13-21(29)25-23(3,4)5/h12,15,18H,6-11,13-14H2,1-5H3,(H,25,29)/p+1