(3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dithiepan-6-yl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dithiepan-6-yl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1,4-dithiepan-6-yl)-1-indan-2-yl-piperidin-1-ium-3-amine CAS Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dithiepan-6-yl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dithiepan-6-yl)piperidin-1-ium-3-amine Traditional Name: 1,4-dithiepan-6-yl-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]amine Formula: C19H29N2S2+ MolecularWeight: 349.57696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)NC4CSCCSC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)NC4CSCCSC4

InChI

InChI=1S/C19H28N2S2/c1-2-5-16-11-19(10-15(16)4-1)21-7-3-6-17(12-21)20-18-13-22-8-9-23-14-18/h1-2,4-5,17-20H,3,6-14H2/p+1/t17-/m0/s1