[(2R)-2-(4-methoxyphenyl)-2-[4-(3-methylbutyl)piperazin-4-ium-1-yl]ethyl]azanium

Systemtic Name: [(2R)-2-(4-methoxyphenyl)-2-[4-(3-methylbutyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(4-isopentylpiperazin-4-ium-1-yl)-2-(4-methoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-(4-methoxyphenyl)-2-[4-(3-methylbutyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(4-methoxyphenyl)-2-[4-(3-methylbutyl)piperazin-4-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(4-isoamylpiperazin-4-ium-1-yl)-2-(4-methoxyphenyl)ethyl]ammonium Formula: C18H33N3O+2 MolecularWeight: 307.47412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCN(CC1)C(C[NH3+])C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CC[NH+]1CCN(CC1)[C@@H](C[NH3+])C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H31N3O/c1-15(2)8-9-20-10-12-21(13-11-20)18(14-19)16-4-6-17(22-3)7-5-16/h4-7,15,18H,8-14,19H2,1-3H3/p+2/t18-/m0/s1