N-(5-chloranyl-2-methoxy-phenyl)-4-(furan-2-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-(furan-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-(2-furylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-(2-furanylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-(2-furfuryl)piperazin-4-ium-1-carboxamide Formula: C17H21ClN3O3+ MolecularWeight: 350.81994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)N2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)N2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C17H20ClN3O3/c1-23-16-5-4-13(18)11-15(16)19-17(22)21-8-6-20(7-9-21)12-14-3-2-10-24-14/h2-5,10-11H,6-9,12H2,1H3,(H,19,22)/p+1