[(2R)-2-(3-ethoxyphenyl)-2-[4-(2-methylpropyl)piperazin-4-ium-1-yl]ethyl]azanium

Systemtic Name: [(2R)-2-(3-ethoxyphenyl)-2-[4-(2-methylpropyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(3-ethoxyphenyl)-2-(4-isobutylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(3-ethoxyphenyl)-2-[4-(2-methylpropyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(3-ethoxyphenyl)-2-[4-(2-methylpropyl)piperazin-4-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(4-isobutylpiperazin-4-ium-1-yl)-2-m-phenetyl-ethyl]ammonium Formula: C18H33N3O+2 MolecularWeight: 307.47412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C[NH3+])N2CC[NH+](CC2)CC(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)[C@H](C[NH3+])N2CC[NH+](CC2)CC(C)C

InChI

InChI=1S/C18H31N3O/c1-4-22-17-7-5-6-16(12-17)18(13-19)21-10-8-20(9-11-21)14-15(2)3/h5-7,12,15,18H,4,8-11,13-14,19H2,1-3H3/p+2/t18-/m0/s1