1-(1,3-benzothiazol-2-yl)-1-(diphenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-1-(diphenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-benzhydryl-1-(1,3-benzothiazol-2-yl)piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-benzothiazol-2-yl)-1-(diphenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-benzhydryl-1-(1,3-benzothiazol-2-yl)piperidin-1-ium-4-carboxamide Traditional Name: 1-benzhydryl-1-(1,3-benzothiazol-2-yl)piperidin-1-ium-4-carboxamide Formula: C26H26N3OS+ MolecularWeight: 428.56914

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC1C(=O)N)(C2=NC3=CC=CC=C3S2)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[N+](CCC1C(=O)N)(C2=NC3=CC=CC=C3S2)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3OS/c27-25(30)21-15-17-29(18-16-21,26-28-22-13-7-8-14-23(22)31-26)24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,21,24H,15-18H2,(H-,27,30)/p+1