3-[[[3-[[2-(dimethylazaniumyl)-2-ethyl-butyl]carbamoylamino]-4-methyl-phenyl]carbamoylamino]methyl]pentan-3-yl-dimethyl-azanium

Systemtic Name: 3-[[[3-[[2-(dimethylazaniumyl)-2-ethyl-butyl]carbamoylamino]-4-methyl-phenyl]carbamoylamino]methyl]pentan-3-yl-dimethyl-azanium Openeye Name: [1-[[[3-[[2-(dimethylammonio)-2-ethyl-butyl]carbamoylamino]-4-methyl-phenyl]carbamoylamino]methyl]-1-ethyl-propyl]-dimethyl-ammonium CAS Name: 3-[[[[3-[[[[2-(dimethylammonio)-2-ethylbutyl]amino]-oxomethyl]amino]-4-methylanilino]-oxomethyl]amino]methyl]pentan-3-yl-dimethylammonium IUPAC Name: 3-[[[3-[[2-(dimethylazaniumyl)-2-ethylbutyl]carbamoylamino]-4-methylphenyl]carbamoylamino]methyl]pentan-3-yl-dimethylazanium Traditional Name: [1-[[[3-[[2-(dimethylammonio)-2-ethyl-butyl]carbamoylamino]-4-methyl-phenyl]carbamoylamino]methyl]-1-ethyl-propyl]-dimethyl-ammonium Formula: C25H48N6O2+2 MolecularWeight: 464.68762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CNC(=O)NC1=CC(=C(C=C1)C)NC(=O)NCC(CC)(CC)[NH+](C)C)[NH+](C)C

Isomeric SMILES

CCC(CC)(CNC(=O)NC1=CC(=C(C=C1)C)NC(=O)NCC(CC)(CC)[NH+](C)C)[NH+](C)C

InChI

InChI=1S/C25H46N6O2/c1-10-24(11-2,30(6)7)17-26-22(32)28-20-15-14-19(5)21(16-20)29-23(33)27-18-25(12-3,13-4)31(8)9/h14-16H,10-13,17-18H2,1-9H3,(H2,26,28,32)(H2,27,29,33)/p+2