[(3R)-4-(3,5-dimethylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]azanium

Systemtic Name: [(3R)-4-(3,5-dimethylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Openeye Name: [(3R)-4-(3,5-dimethylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium CAS Name: [(3R)-4-(3,5-dimethylphenoxy)-3-(4-methyl-1-piperazin-4-iumyl)butyl]ammonium IUPAC Name: [(3R)-4-(3,5-dimethylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Traditional Name: [(3R)-4-(3,5-dimethylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(CC[NH3+])N2CC[NH+](CC2)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC[C@@H](CC[NH3+])N2CC[NH+](CC2)C)C

InChI

InChI=1S/C17H29N3O/c1-14-10-15(2)12-17(11-14)21-13-16(4-5-18)20-8-6-19(3)7-9-20/h10-12,16H,4-9,13,18H2,1-3H3/p+2/t16-/m1/s1