(2-phenethyl-5-phenylsulfanyl-pyrrolidin-1-ium-1-ylidene)methanediamine chloride

Systemtic Name: (2-phenethyl-5-phenylsulfanyl-pyrrolidin-1-ium-1-ylidene)methanediamine chloride Openeye Name: (2-phenethyl-5-phenylsulfanyl-pyrrolidin-1-ium-1-ylidene)methanediamine chloride CAS Name: [2-phenethyl-5-(phenylthio)-1-pyrrolidin-1-iumylidene]methanediamine chloride IUPAC Name: (2-phenethyl-5-phenylsulfanylpyrrolidin-1-ium-1-ylidene)methanediamine chloride Traditional Name: [amino-[2-phenethyl-5-(phenylthio)pyrrolidin-1-ium-1-ylidene]methyl]amine chloride Formula: C19H24ClN3S MolecularWeight: 361.93196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](=C(N)N)C1CCC2=CC=CC=C2)SC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CC([N+](=C(N)N)C1CCC2=CC=CC=C2)SC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C19H23N3S.ClH/c20-19(21)22-16(12-11-15-7-3-1-4-8-15)13-14-18(22)23-17-9-5-2-6-10-17;/h1-10,16,18H,11-14H2,(H3,20,21);1H