4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-benzyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-benzyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-benzyl-4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbothioamide Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C21H25N3OS/c26-21(22-15-17-4-2-1-3-5-17)24-11-9-23(10-12-24)16-18-6-7-20-19(14-18)8-13-25-20/h1-7,14H,8-13,15-16H2,(H,22,26)/p+1