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

Systemtic Name: [(2R)-2-(3-ethoxy-4-propoxy-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(3-ethoxy-4-propoxy-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(3-ethoxy-4-propoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(3-ethoxy-4-propoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(3-ethoxy-4-propoxy-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C18H33N3O2+2 MolecularWeight: 323.47352

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(C[NH3+])N2CC[NH+](CC2)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@H](C[NH3+])N2CC[NH+](CC2)C)OCC

InChI

InChI=1S/C18H31N3O2/c1-4-12-23-17-7-6-15(13-18(17)22-5-2)16(14-19)21-10-8-20(3)9-11-21/h6-7,13,16H,4-5,8-12,14,19H2,1-3H3/p+2/t16-/m0/s1