[(3S)-3-(azaniumylmethyl)thiolan-3-yl]-methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [(3S)-3-(azaniumylmethyl)thiolan-3-yl]-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [(3S)-3-(azaniumylmethyl)tetrahydrothiophen-3-yl]-methyl-(p-tolylmethyl)ammonium CAS Name: [(3S)-3-(ammoniomethyl)-3-thiolanyl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [(3S)-3-(azaniumylmethyl)thiolan-3-yl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [(3S)-3-(ammoniomethyl)tetrahydrothiophen-3-yl]-methyl-(4-methylbenzyl)ammonium Formula: C14H24N2S+2 MolecularWeight: 252.41876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](C)C2(CCSC2)C[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](C)[C@@]2(CCSC2)C[NH3+]

InChI

InChI=1S/C14H22N2S/c1-12-3-5-13(6-4-12)9-16(2)14(10-15)7-8-17-11-14/h3-6H,7-11,15H2,1-2H3/p+2/t14-/m0/s1