[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-propan-2-yloxyphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-propan-2-yloxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-(2-isopropoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-(2-propan-2-yloxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-propan-2-yloxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(2-isopropoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C16H29N3O+2 MolecularWeight: 279.42096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C(C[NH3+])N2CC[NH+](CC2)C

Isomeric SMILES

CC(C)OC1=CC=CC=C1[C@H](C[NH3+])N2CC[NH+](CC2)C

InChI

InChI=1S/C16H27N3O/c1-13(2)20-16-7-5-4-6-14(16)15(12-17)19-10-8-18(3)9-11-19/h4-7,13,15H,8-12,17H2,1-3H3/p+2/t15-/m0/s1