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

Systemtic Name: [(2R)-2-(3-methoxyphenyl)-2-[4-(3-methylbutyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(4-isopentylpiperazin-4-ium-1-yl)-2-(3-methoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-(3-methoxyphenyl)-2-[4-(3-methylbutyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(3-methoxyphenyl)-2-[4-(3-methylbutyl)piperazin-4-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(4-isoamylpiperazin-4-ium-1-yl)-2-(3-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(=CC=C2)OC

Isomeric SMILES

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

InChI

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