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

Systemtic Name: 1-(1,4-dithiepan-6-yl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,4-dithiepan-6-yl)-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-(1,4-dithiepan-6-yl)-N-[3-(4-thiazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,4-dithiepan-6-yl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(1,4-dithiepan-6-yl)-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C20H26N3OS3+ MolecularWeight: 420.63494

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CSC=N3)C4CSCCSC4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CSC=N3)C4CSCCSC4

InChI

InChI=1S/C20H25N3OS3/c24-20(22-17-3-1-2-16(10-17)19-13-27-14-21-19)15-4-6-23(7-5-15)18-11-25-8-9-26-12-18/h1-3,10,13-15,18H,4-9,11-12H2,(H,22,24)/p+1