2-diethylaminoethyloxidanium; (4-oxidaniumylidene-4-phenyl-butan-2-ylidene)oxidanium; titanium

Systemtic Name: 2-diethylaminoethyloxidanium; (4-oxidaniumylidene-4-phenyl-butan-2-ylidene)oxidanium; titanium Openeye Name: 2-diethylaminoethyloxonium; (1-methyl-3-oxoniumylidene-3-phenyl-propylidene)oxonium; titanium CAS Name: 2-diethylaminoethyloxonium; (4-oxoniumylidene-4-phenylbutan-2-ylidene)oxonium; titanium IUPAC Name: 2-diethylaminoethyloxidanium; (4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium; titanium Traditional Name: 2-diethylaminoethyloxonium; (1-methyl-3-oxoniumylidene-3-phenyl-propylidene)oxonium; titanium Formula: C32H54N2O6Ti+8 MolecularWeight: 610.64796

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[OH2+].CCN(CC)CC[OH2+].CC(=[OH+])[CH+]C(=[OH+])C1=CC=CC=C1.CC(=[OH+])[CH+]C(=[OH+])C1=CC=CC=C1.[Ti]

Isomeric SMILES

CCN(CC)CC[OH2+].CCN(CC)CC[OH2+].CC(=[OH+])[CH+]C(=[OH+])C1=CC=CC=C1.CC(=[OH+])[CH+]C(=[OH+])C1=CC=CC=C1.[Ti]

InChI

InChI=1S/2C10H9O2.2C6H15NO.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*1-3-7(4-2)5-6-8;/h2*2-7H,1H3;2*8H,3-6H2,1-2H3;/q2*+1;;;/p+6