[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

Systemtic Name: [4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone Openeye Name: [4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-[2-(3-thienyl)thiazol-4-yl]methanone CAS Name: [4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]-[2-(3-thiophenyl)-4-thiazolyl]methanone IUPAC Name: [4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone Traditional Name: [4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-[2-(3-thienyl)thiazol-4-yl]methanone Formula: C22H26N3OS2+ MolecularWeight: 412.59134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3OS2/c1-16(2)18-5-3-17(4-6-18)13-24-8-10-25(11-9-24)22(26)20-15-28-21(23-20)19-7-12-27-14-19/h3-7,12,14-16H,8-11,13H2,1-2H3/p+1