(3S)-N-(3,4-dimethylphenyl)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(3,4-dimethylphenyl)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(3,4-dimethylphenyl)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-amine CAS Name: (3S)-N-(3,4-dimethylphenyl)-1-(1,4-dithiepan-6-yl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(3,4-dimethylphenyl)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-amine Traditional Name: (3,4-dimethylphenyl)-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]amine Formula: C18H29N2S2+ MolecularWeight: 337.56626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCC[NH+](C2)C3CSCCSC3)C

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2S2/c1-14-5-6-16(10-15(14)2)19-17-4-3-7-20(11-17)18-12-21-8-9-22-13-18/h5-6,10,17-19H,3-4,7-9,11-13H2,1-2H3/p+1/t17-/m0/s1