1-adamantyl-[(4S)-2-phenyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-yl]azanium

Systemtic Name: 1-adamantyl-[(4S)-2-phenyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-yl]azanium Openeye Name: 1-adamantyl-[(4S)-2-phenyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-yl]ammonium CAS Name: 1-adamantyl-[(4S)-2-phenyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-yl]ammonium IUPAC Name: 1-adamantyl-[(4S)-2-phenyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-yl]azanium Traditional Name: 1-adamantyl-[(4S)-2-phenyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-yl]ammonium Formula: C26H28N3S+ MolecularWeight: 414.58562

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]C4C=C(SC5=NC6=CC=CC=C6N45)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+][C@@H]4C=C(SC5=NC6=CC=CC=C6N45)C7=CC=CC=C7

InChI

InChI=1S/C26H27N3S/c1-2-6-20(7-3-1)23-13-24(29-22-9-5-4-8-21(22)27-25(29)30-23)28-26-14-17-10-18(15-26)12-19(11-17)16-26/h1-9,13,17-19,24,28H,10-12,14-16H2/p+1/t17?,18?,19?,24-,26?/m0/s1