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

Systemtic Name: N-(4-butylphenyl)-4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(4-butylphenyl)-4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(4-butylphenyl)-4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-butylphenyl)-4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(4-butylphenyl)-4-(5-chloro-2-methoxy-benzyl)piperazin-4-ium-1-carboxamide Formula: C23H31ClN3O2+ MolecularWeight: 416.96414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C23H30ClN3O2/c1-3-4-5-18-6-9-21(10-7-18)25-23(28)27-14-12-26(13-15-27)17-19-16-20(24)8-11-22(19)29-2/h6-11,16H,3-5,12-15,17H2,1-2H3,(H,25,28)/p+1