(4-chloranyl-2-methyl-phenyl)-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-chloranyl-2-methyl-phenyl)-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methanone CAS Name: (4-chloro-2-methylphenyl)-[(3S)-1-(1,4-dithiepan-6-yl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-chloro-2-methylphenyl)-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methanone Formula: C18H25ClNOS2+ MolecularWeight: 370.9802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCC[NH+](C2)C3CSCCSC3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)C3CSCCSC3

InChI

InChI=1S/C18H24ClNOS2/c1-13-9-15(19)4-5-17(13)18(21)14-3-2-6-20(10-14)16-11-22-7-8-23-12-16/h4-5,9,14,16H,2-3,6-8,10-12H2,1H3/p+1/t14-/m0/s1