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

Systemtic Name: N-(4-butylphenyl)-4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(4-butylphenyl)-4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(4-butylphenyl)-4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-butylphenyl)-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(4-butylphenyl)-4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carboxamide Formula: C20H27ClN3OS+ MolecularWeight: 392.96588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C20H26ClN3OS/c1-2-3-4-16-5-7-17(8-6-16)22-20(25)24-13-11-23(12-14-24)15-18-9-10-19(21)26-18/h5-10H,2-4,11-15H2,1H3,(H,22,25)/p+1