[(3R)-3-(4-methylpiperazin-4-ium-1-yl)-4-(2,3,6-trimethylphenoxy)butyl]azanium

Systemtic Name: [(3R)-3-(4-methylpiperazin-4-ium-1-yl)-4-(2,3,6-trimethylphenoxy)butyl]azanium Openeye Name: [(3R)-3-(4-methylpiperazin-4-ium-1-yl)-4-(2,3,6-trimethylphenoxy)butyl]ammonium CAS Name: [(3R)-3-(4-methyl-1-piperazin-4-iumyl)-4-(2,3,6-trimethylphenoxy)butyl]ammonium IUPAC Name: [(3R)-3-(4-methylpiperazin-4-ium-1-yl)-4-(2,3,6-trimethylphenoxy)butyl]azanium Traditional Name: [(3R)-3-(4-methylpiperazin-4-ium-1-yl)-4-(2,3,6-trimethylphenoxy)butyl]ammonium Formula: C18H33N3O+2 MolecularWeight: 307.47412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3O/c1-14-5-6-15(2)18(16(14)3)22-13-17(7-8-19)21-11-9-20(4)10-12-21/h5-6,17H,7-13,19H2,1-4H3/p+2/t17-/m1/s1