N-(2-chloranyl-5-nitro-phenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-(2-phenoxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Formula: C19H22ClN4O3S+ MolecularWeight: 421.92098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H21ClN4O3S/c20-17-7-6-15(24(25)26)14-18(17)21-19(28)23-10-8-22(9-11-23)12-13-27-16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,21,28)/p+1