[(2R)-3-ethyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pentyl]azanium

Systemtic Name: [(2R)-3-ethyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pentyl]azanium Openeye Name: [(2R)-2-(4-benzylpiperazin-4-ium-1-yl)-3-ethyl-pentyl]ammonium CAS Name: [(2R)-3-ethyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]pentyl]ammonium IUPAC Name: [(2R)-2-(4-benzylpiperazin-4-ium-1-yl)-3-ethylpentyl]azanium Traditional Name: [(2R)-2-(4-benzylpiperazin-4-ium-1-yl)-3-ethyl-pentyl]ammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C[NH3+])N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CCC(CC)[C@H](C[NH3+])N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H31N3/c1-3-17(4-2)18(14-19)21-12-10-20(11-13-21)15-16-8-6-5-7-9-16/h5-9,17-18H,3-4,10-15,19H2,1-2H3/p+2/t18-/m0/s1