(3,5-dimethyl-4-oxidanyl-phenyl)methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium

Systemtic Name: (3,5-dimethyl-4-oxidanyl-phenyl)methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: (4-hydroxy-3,5-dimethyl-phenyl)methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: (4-hydroxy-3,5-dimethylphenyl)methyl-[3-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: (4-hydroxy-3,5-dimethylphenyl)methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: (4-hydroxy-3,5-dimethyl-benzyl)-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C[NH2+]CCCN2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[NH2+]CCCN2CC[NH+](CC2)C

InChI

InChI=1S/C17H29N3O/c1-14-11-16(12-15(2)17(14)21)13-18-5-4-6-20-9-7-19(3)8-10-20/h11-12,18,21H,4-10,13H2,1-3H3/p+2