2-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-N-cyclopropyl-benzamide

Systemtic Name: 2-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 2-[[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 2-[[2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopropyl-benzamide Formula: C21H26ClN4O2S+ MolecularWeight: 433.97474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C21H25ClN4O2S/c22-19-8-7-16(29-19)13-25-9-11-26(12-10-25)14-20(27)24-18-4-2-1-3-17(18)21(28)23-15-5-6-15/h1-4,7-8,15H,5-6,9-14H2,(H,23,28)(H,24,27)/p+1