4-(3-methoxyphenyl)-2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-1,3-thiazole

Systemtic Name: 4-(3-methoxyphenyl)-2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-1,3-thiazole Openeye Name: 4-(3-methoxyphenyl)-2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]thiazole CAS Name: 4-(3-methoxyphenyl)-2-[4-[(4-nitrophenyl)methyl]-1-piperazin-4-iumyl]thiazole IUPAC Name: 4-(3-methoxyphenyl)-2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-1,3-thiazole Traditional Name: 4-(3-methoxyphenyl)-2-[4-(4-nitrobenzyl)piperazin-4-ium-1-yl]thiazole Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CSC(=N2)N3CC[NH+](CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=CSC(=N2)N3CC[NH+](CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-28-19-4-2-3-17(13-19)20-15-29-21(22-20)24-11-9-23(10-12-24)14-16-5-7-18(8-6-16)25(26)27/h2-8,13,15H,9-12,14H2,1H3/p+1