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

Systemtic Name: [(2R,3S)-3-methyl-1-(4-phenylpiperazin-1-ium-1-yl)pentan-2-yl]azanium Openeye Name: [(1R,2S)-2-methyl-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]butyl]ammonium CAS Name: [(2R,3S)-3-methyl-1-(4-phenyl-1-piperazin-1-iumyl)pentan-2-yl]ammonium IUPAC Name: [(2R,3S)-3-methyl-1-(4-phenylpiperazin-1-ium-1-yl)pentan-2-yl]azanium Traditional Name: [(1R,2S)-2-methyl-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]butyl]ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C[NH+]1CCN(CC1)C2=CC=CC=C2)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@H](C[NH+]1CCN(CC1)C2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C16H27N3/c1-3-14(2)16(17)13-18-9-11-19(12-10-18)15-7-5-4-6-8-15/h4-8,14,16H,3,9-13,17H2,1-2H3/p+2/t14-,16-/m0/s1