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

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-3-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-methoxy-2-nitrophenyl)-3-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-methoxy-2-nitro-phenyl)-3-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-ium-1-yl]propionamide Formula: C24H28N5O4S+ MolecularWeight: 482.57522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)CC3=CSC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)CC3=CSC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O4S/c1-33-20-7-8-21(22(15-20)29(31)32)26-23(30)9-10-27-11-13-28(14-12-27)16-19-17-34-24(25-19)18-5-3-2-4-6-18/h2-8,15,17H,9-14,16H2,1H3,(H,26,30)/p+1