2-azaniumylethyl-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: 2-azaniumylethyl-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: 2-azaniumylethyl-[(3S)-1,1-dioxothiolan-3-yl]-[(4-isopropylphenyl)methyl]ammonium CAS Name: 2-ammonioethyl-[(3S)-1,1-dioxo-3-thiolanyl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: 2-azaniumylethyl-[(3S)-1,1-dioxothiolan-3-yl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: 2-ammonioethyl-[(3S)-1,1-diketothiolan-3-yl]-(4-isopropylbenzyl)ammonium Formula: C16H28N2O2S+2 MolecularWeight: 312.47072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](CC[NH3+])C2CCS(=O)(=O)C2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](CC[NH3+])[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C16H26N2O2S/c1-13(2)15-5-3-14(4-6-15)11-18(9-8-17)16-7-10-21(19,20)12-16/h3-6,13,16H,7-12,17H2,1-2H3/p+2/t16-/m0/s1