N-(5-chloranyl-2-methyl-phenyl)-4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(5-chloro-2-methylphenyl)-4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(5-chloro-2-methylphenyl)-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carboxamide Formula: C17H20Cl2N3OS+ MolecularWeight: 385.3312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C17H19Cl2N3OS/c1-12-2-3-13(18)10-15(12)20-17(23)22-8-6-21(7-9-22)11-14-4-5-16(19)24-14/h2-5,10H,6-9,11H2,1H3,(H,20,23)/p+1