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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3OS/c1-3-15(2)16-4-6-17(7-5-16)22-20(25)24-12-10-23(11-13-24)14-18-8-9-19(21)26-18/h4-9,15H,3,10-14H2,1-2H3,(H,22,25)/p+1/t15-/m0/s1