[(2R)-2-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2R)-2-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(3-chloro-4-ethoxy-5-methoxy-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(3-chloro-4-ethoxy-5-methoxy-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C16H28ClN3O2+2 MolecularWeight: 329.86542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(C[NH3+])N2CC[NH+](CC2)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)[C@H](C[NH3+])N2CC[NH+](CC2)C)OC

InChI

InChI=1S/C16H26ClN3O2/c1-4-22-16-13(17)9-12(10-15(16)21-3)14(11-18)20-7-5-19(2)6-8-20/h9-10,14H,4-8,11,18H2,1-3H3/p+2/t14-/m0/s1