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

Systemtic Name: [(2R)-2-(4-ethylphenyl)-2-[4-(3-methylbutyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(4-ethylphenyl)-2-(4-isopentylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(4-ethylphenyl)-2-[4-(3-methylbutyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(4-ethylphenyl)-2-[4-(3-methylbutyl)piperazin-4-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(4-ethylphenyl)-2-(4-isoamylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C19H35N3+2 MolecularWeight: 305.5013

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C[NH3+])N2CC[NH+](CC2)CCC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C[NH3+])N2CC[NH+](CC2)CCC(C)C

InChI

InChI=1S/C19H33N3/c1-4-17-5-7-18(8-6-17)19(15-20)22-13-11-21(12-14-22)10-9-16(2)3/h5-8,16,19H,4,9-15,20H2,1-3H3/p+2/t19-/m0/s1