[(3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [(3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-thiomorpholin-4-yl-methanone Openeye Name: [(3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-thiomorpholino-methanone CAS Name: [(3S)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumyl]-thiomorpholin-4-ylmethanone IUPAC Name: [(3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-thiomorpholin-4-ylmethanone Traditional Name: [(3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-thiomorpholino-methanone Formula: C22H35N3OS+2 MolecularWeight: 389.5978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)N4CCSCC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)N4CCSCC4

InChI

InChI=1S/C22H33N3OS/c26-22(24-13-15-27-16-14-24)20-7-4-10-25(18-20)21-8-11-23(12-9-21)17-19-5-2-1-3-6-19/h1-3,5-6,20-21H,4,7-18H2/p+2/t20-/m0/s1