N-tert-butyl-4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-tert-butyl-4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-tert-butyl-4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-tert-butyl-4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-tert-butyl-4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-tert-butyl-4-(5-chloro-2-methoxy-benzyl)piperazin-4-ium-1-carboxamide Formula: C17H27ClN3O2+ MolecularWeight: 340.86818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1CC[NH+](CC1)CC2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CC(C)(C)NC(=O)N1CC[NH+](CC1)CC2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C17H26ClN3O2/c1-17(2,3)19-16(22)21-9-7-20(8-10-21)12-13-11-14(18)5-6-15(13)23-4/h5-6,11H,7-10,12H2,1-4H3,(H,19,22)/p+1