[2-(1-adamantyliminomethyl)phenyl]oxidanium; ethyloxidanium; titanium

Systemtic Name: [2-(1-adamantyliminomethyl)phenyl]oxidanium; ethyloxidanium; titanium Openeye Name: [2-(1-adamantyliminomethyl)phenyl]oxonium; ethyloxonium; titanium CAS Name: [2-(1-adamantyliminomethyl)phenyl]oxonium; ethyloxonium; titanium IUPAC Name: [2-(1-adamantyliminomethyl)phenyl]oxidanium; ethyloxidanium; titanium Traditional Name: [2-(1-adamantyliminomethyl)phenyl]oxonium; ethyloxonium; titanium Formula: C38H58N2O4Ti+4 MolecularWeight: 654.74512

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Descriptors Computed from Structure

Canonical SMILES:

CC[OH2+].CC[OH2+].C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4[OH2+].C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4[OH2+].[Ti]

Isomeric SMILES

CC[OH2+].CC[OH2+].C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4[OH2+].C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4[OH2+].[Ti]

InChI

InChI=1S/2C17H21NO.2C2H6O.Ti/c2*19-16-4-2-1-3-15(16)11-18-17-8-12-5-13(9-17)7-14(6-12)10-17;2*1-2-3;/h2*1-4,11-14,19H,5-10H2;2*3H,2H2,1H3;/p+4