azanylidyneazanium; 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-(1-phenylpiperazin-1-ium-1-yl)butan-1-one

Systemtic Name: azanylidyneazanium; 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-(1-phenylpiperazin-1-ium-1-yl)butan-1-one Openeye Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-(1-phenylpiperazin-1-ium-1-yl)butan-1-one; nitridoammonium CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-(1-phenyl-1-piperazin-1-iumyl)-1-butanone; nitriloammonium IUPAC Name: azanylidyneazanium; 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-(1-phenylpiperazin-1-ium-1-yl)butan-1-one Traditional Name: 2-(2,4-ditert-amylphenoxy)-1-(1-phenylpiperazin-1-ium-1-yl)butan-1-one; nitriloammonium Formula: C30H46N4O2+2 MolecularWeight: 494.71184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[N+]1(CCNCC1)C2=CC=CC=C2)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC.[NH+]#N

Isomeric SMILES

CCC(C(=O)[N+]1(CCNCC1)C2=CC=CC=C2)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC.[NH+]#N

InChI

InChI=1S/C30H45N2O2.N2/c1-8-26(28(33)32(20-18-31-19-21-32)24-14-12-11-13-15-24)34-27-17-16-23(29(4,5)9-2)22-25(27)30(6,7)10-3;1-2/h11-17,22,26,31H,8-10,18-21H2,1-7H3;/q+1;/p+1