N-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,4-diazepan-4-ium-1-carbothioamide

Systemtic Name: N-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: N-cyclopropyl-4-(1-naphthylmethyl)-1,4-diazepan-4-ium-1-carbothioamide CAS Name: N-cyclopropyl-4-(1-naphthalenylmethyl)-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: N-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: N-cyclopropyl-4-(1-naphthylmethyl)-1,4-diazepan-4-ium-1-carbothioamide Formula: C20H26N3S+ MolecularWeight: 340.50554

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=S)NC2CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1C[NH+](CCN(C1)C(=S)NC2CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C20H25N3S/c24-20(21-18-9-10-18)23-12-4-11-22(13-14-23)15-17-7-3-6-16-5-1-2-8-19(16)17/h1-3,5-8,18H,4,9-15H2,(H,21,24)/p+1