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

Systemtic Name: (3-methyl-4-nitro-phenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-methyl-4-nitro-phenyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-methyl-4-nitrophenyl)-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methyl-4-nitrophenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-methyl-4-nitro-phenyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C22H23N4O3S+ MolecularWeight: 423.50802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3S/c1-16-13-18(7-8-20(16)26(28)29)22(27)25-11-9-24(10-12-25)14-19-15-30-21(23-19)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3/p+1