(2S)-4-(1,4-dithiepan-6-yl)-2-[(3-methoxyphenyl)methyl]morpholin-4-ium

Systemtic Name: (2S)-4-(1,4-dithiepan-6-yl)-2-[(3-methoxyphenyl)methyl]morpholin-4-ium Openeye Name: (2S)-4-(1,4-dithiepan-6-yl)-2-[(3-methoxyphenyl)methyl]morpholin-4-ium CAS Name: (2S)-4-(1,4-dithiepan-6-yl)-2-[(3-methoxyphenyl)methyl]morpholin-4-ium IUPAC Name: (2S)-4-(1,4-dithiepan-6-yl)-2-[(3-methoxyphenyl)methyl]morpholin-4-ium Traditional Name: (2S)-4-(1,4-dithiepan-6-yl)-2-m-anisyl-morpholin-4-ium Formula: C17H26NO2S2+ MolecularWeight: 340.52384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2C[NH+](CCO2)C3CSCCSC3

Isomeric SMILES

COC1=CC=CC(=C1)C[C@H]2C[NH+](CCO2)C3CSCCSC3

InChI

InChI=1S/C17H25NO2S2/c1-19-16-4-2-3-14(9-16)10-17-11-18(5-6-20-17)15-12-21-7-8-22-13-15/h2-4,9,15,17H,5-8,10-13H2,1H3/p+1/t17-/m0/s1