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

Systemtic Name: [(3R)-4-(4-chloranyl-3-methyl-phenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Openeye Name: [(3R)-4-(4-chloro-3-methyl-phenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium CAS Name: [(3R)-4-(4-chloro-3-methylphenoxy)-3-(4-methyl-1-piperazin-4-iumyl)butyl]ammonium IUPAC Name: [(3R)-4-(4-chloro-3-methylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Traditional Name: [(3R)-4-(4-chloro-3-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)OCC(CC[NH3+])N2CC[NH+](CC2)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H26ClN3O/c1-13-11-15(3-4-16(13)17)21-12-14(5-6-18)20-9-7-19(2)8-10-20/h3-4,11,14H,5-10,12,18H2,1-2H3/p+2/t14-/m1/s1