[(2R)-3-methyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]azanium

Systemtic Name: [(2R)-3-methyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]azanium Openeye Name: [(2R)-2-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-butyl]ammonium CAS Name: [(2R)-3-methyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]butyl]ammonium IUPAC Name: [(2R)-2-(4-benzylpiperazin-4-ium-1-yl)-3-methylbutyl]azanium Traditional Name: [(2R)-2-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-butyl]ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3/c1-14(2)16(12-17)19-10-8-18(9-11-19)13-15-6-4-3-5-7-15/h3-7,14,16H,8-13,17H2,1-2H3/p+2/t16-/m0/s1