[(2R)-2-(3-butoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2R)-2-(3-butoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(3-butoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(3-butoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(3-butoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(3-butoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(C[NH3+])N2CC[NH+](CC2)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)[C@H](C[NH3+])N2CC[NH+](CC2)C

InChI

InChI=1S/C17H29N3O/c1-3-4-12-21-16-7-5-6-15(13-16)17(14-18)20-10-8-19(2)9-11-20/h5-7,13,17H,3-4,8-12,14,18H2,1-2H3/p+2/t17-/m0/s1