1-(5-chloranylnaphthalen-1-yl)sulfanyl-1,4-diazepan-4-ium

Systemtic Name: 1-(5-chloranylnaphthalen-1-yl)sulfanyl-1,4-diazepan-4-ium Openeye Name: 1-[(5-chloro-1-naphthyl)sulfanyl]-1,4-diazepan-4-ium CAS Name: 1-[(5-chloro-1-naphthalenyl)thio]-1,4-diazepan-4-ium IUPAC Name: 1-(5-chloronaphthalen-1-yl)sulfanyl-1,4-diazepan-4-ium Traditional Name: 1-[(5-chloro-1-naphthyl)thio]-1,4-diazepan-4-ium Formula: C15H18ClN2S+ MolecularWeight: 293.83482

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)SC2=CC=CC3=C2C=CC=C3Cl

Isomeric SMILES

C1C[NH2+]CCN(C1)SC2=CC=CC3=C2C=CC=C3Cl

InChI

InChI=1S/C15H17ClN2S/c16-14-6-1-5-13-12(14)4-2-7-15(13)19-18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H2/p+1