N-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-ethoxy-benzamide

Systemtic Name: N-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-ethoxy-benzamide Openeye Name: N-[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-ethoxy-benzamide CAS Name: N-[2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-4-ethoxybenzamide IUPAC Name: N-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-4-ethoxybenzamide Traditional Name: N-[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-4-ethoxy-benzamide Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C20H24ClN3O3S/c1-2-27-16-5-3-15(4-6-16)20(26)22-13-19(25)24-11-9-23(10-12-24)14-17-7-8-18(21)28-17/h3-8H,2,9-14H2,1H3,(H,22,26)/p+1