[(3R)-4-(4-chloranyl-2-methyl-phenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]azanium

Systemtic Name: [(3R)-4-(4-chloranyl-2-methyl-phenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Openeye Name: [(3R)-4-(4-chloro-2-methyl-phenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium CAS Name: [(3R)-4-(4-chloro-2-methylphenoxy)-3-(4-methyl-1-piperazin-4-iumyl)butyl]ammonium IUPAC Name: [(3R)-4-(4-chloro-2-methylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Traditional Name: [(3R)-4-(4-chloro-2-methyl-phenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium Formula: C16H28ClN3O+2 MolecularWeight: 313.86602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26ClN3O/c1-13-11-14(17)3-4-16(13)21-12-15(5-6-18)20-9-7-19(2)8-10-20/h3-4,11,15H,5-10,12,18H2,1-2H3/p+2/t15-/m1/s1