(3aR,7aS)-2-benzamido-N-phenyl-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-ium-1-carboxamide

Systemtic Name: (3aR,7aS)-2-benzamido-N-phenyl-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-ium-1-carboxamide Openeye Name: (3aR,7aS)-2-benzamido-N-phenyl-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-ium-1-carboxamide CAS Name: (3aR,7aS)-2-benzamido-N-phenyl-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-ium-1-carboxamide IUPAC Name: (3aR,7aS)-2-benzamido-N-phenyl-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-ium-1-carboxamide Traditional Name: (3aR,7aS)-2-benzamido-N-phenyl-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-ium-1-carboxamide Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)NC(=[N+]2C(=O)NC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[C@H]2[C@@H](C1)NC(=[N+]2C(=O)NC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2/c26-19(15-9-3-1-4-10-15)24-20-23-17-13-7-8-14-18(17)25(20)21(27)22-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2,(H2,22,23,24,26,27)/p+1/t17-,18+/m1/s1