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

Systemtic Name: [(2R)-2-(4-ethylphenyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-(4-ethylphenyl)ethyl]ammonium CAS Name: [(2R)-2-(4-ethylphenyl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-(4-ethylphenyl)ethyl]azanium Traditional Name: [(2R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-(4-ethylphenyl)ethyl]ammonium Formula: C21H31N3+2 MolecularWeight: 325.49094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C[NH3+])N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C[NH3+])N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3/c1-2-18-8-10-20(11-9-18)21(16-22)24-14-12-23(13-15-24)17-19-6-4-3-5-7-19/h3-11,21H,2,12-17,22H2,1H3/p+2/t21-/m0/s1