(3S)-N-cyclopropyl-1-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-(1,4-dithiepan-6-yl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-(1,4-dithiepan-6-yl)-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-(1,4-dithiepan-6-yl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C19H34N3OS2+ MolecularWeight: 384.62276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C3CSCCSC3)C(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C3CSCCSC3)C(=O)NC4CC4

InChI

InChI=1S/C19H33N3OS2/c23-19(20-16-3-4-16)15-2-1-7-22(12-15)17-5-8-21(9-6-17)18-13-24-10-11-25-14-18/h15-18H,1-14H2,(H,20,23)/p+1/t15-/m0/s1