N-cyclooctyl-4-(phenylmethyl)-1,4-diazepan-4-ium-1-carbothioamide

Systemtic Name: N-cyclooctyl-4-(phenylmethyl)-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-cyclooctyl-1,4-diazepan-4-ium-1-carbothioamide CAS Name: N-cyclooctyl-4-(phenylmethyl)-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: 4-benzyl-N-cyclooctyl-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-cyclooctyl-1,4-diazepan-4-ium-1-carbothioamide Formula: C21H34N3S+ MolecularWeight: 360.57976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N2CCC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N2CCC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H33N3S/c25-21(22-20-12-7-2-1-3-8-13-20)24-15-9-14-23(16-17-24)18-19-10-5-4-6-11-19/h4-6,10-11,20H,1-3,7-9,12-18H2,(H,22,25)/p+1