[4-[6-(1-adamantylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-(4-methoxyphenyl)-oxidanylidene-azanium

Systemtic Name: [4-[6-(1-adamantylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-(4-methoxyphenyl)-oxidanylidene-azanium Openeye Name: [4-[6-(1-adamantylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-(4-methoxyphenyl)-oxo-ammonium CAS Name: [4-[6-[(1-adamantylamino)-oxomethyl]-1H-benzimidazol-2-yl]phenyl]-(4-methoxyphenyl)-oxoammonium IUPAC Name: [4-[6-(1-adamantylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-(4-methoxyphenyl)-oxoazanium Traditional Name: [4-[6-(1-adamantylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-keto-(4-methoxyphenyl)ammonium Formula: C31H31N4O3+ MolecularWeight: 507.60284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[N+](=O)C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)NC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

COC1=CC=C(C=C1)[N+](=O)C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)NC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C31H30N4O3/c1-38-26-9-7-25(8-10-26)35(37)24-5-2-22(3-6-24)29-32-27-11-4-23(15-28(27)33-29)30(36)34-31-16-19-12-20(17-31)14-21(13-19)18-31/h2-11,15,19-21H,12-14,16-18H2,1H3,(H-,32,33,34,36,37)/p+1