(2-phenyl-1,3-thiazol-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-phenylthiazol-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-phenyl-4-thiazolyl)-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2-phenylthiazol-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Formula: C20H28N4OS+2 MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC[NH+]2CCN(CC2)C(=O)C3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC[NH+]2CCN(CC2)C(=O)C3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H26N4OS/c25-20(18-16-26-19(21-18)17-6-2-1-3-7-17)24-14-12-23(13-15-24)11-10-22-8-4-5-9-22/h1-3,6-7,16H,4-5,8-15H2/p+2