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

Systemtic Name: [(2R,3S)-3-methyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]pentan-2-yl]azanium Openeye Name: [(1R,2S)-1-[(4-benzylpiperazin-4-ium-1-yl)methyl]-2-methyl-butyl]ammonium CAS Name: [(2R,3S)-3-methyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]pentan-2-yl]ammonium IUPAC Name: [(2R,3S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-methylpentan-2-yl]azanium Traditional Name: [(1R,2S)-1-[(4-benzylpiperazin-4-ium-1-yl)methyl]-2-methyl-butyl]ammonium Formula: C17H31N3+2 MolecularWeight: 277.44814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CN1CC[NH+](CC1)CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@H](CN1CC[NH+](CC1)CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C17H29N3/c1-3-15(2)17(18)14-20-11-9-19(10-12-20)13-16-7-5-4-6-8-16/h4-8,15,17H,3,9-14,18H2,1-2H3/p+2/t15-,17-/m0/s1