3-[[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-3-methyl-phenyl]amino]butyl-pentan-3-yl-azanium

Systemtic Name: 3-[[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-3-methyl-phenyl]amino]butyl-pentan-3-yl-azanium Openeye Name: 3-[4-[(1,3-dimethyl-2H-imidazol-2-yl)azo]-3-methyl-anilino]butyl-(1-ethylpropyl)ammonium CAS Name: 3-[4-[(1,3-dimethyl-2H-imidazol-2-yl)azo]-3-methylanilino]butyl-pentan-3-ylammonium IUPAC Name: 3-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-3-methylanilino]butyl-pentan-3-ylazanium Traditional Name: 3-[4-[(1,3-dimethyl-4-imidazolin-2-yl)azo]-3-methyl-anilino]butyl-(1-ethylpropyl)ammonium Formula: C21H37N6+ MolecularWeight: 373.55868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CCC(C)NC1=CC(=C(C=C1)N=NC2N(C=CN2C)C)C

Isomeric SMILES

CCC(CC)[NH2+]CCC(C)NC1=CC(=C(C=C1)N=NC2N(C=CN2C)C)C

InChI

InChI=1S/C21H36N6/c1-7-18(8-2)22-12-11-17(4)23-19-9-10-20(16(3)15-19)24-25-21-26(5)13-14-27(21)6/h9-10,13-15,17-18,21-23H,7-8,11-12H2,1-6H3/p+1