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

Systemtic Name: [(2R,3S)-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentan-2-yl]azanium Openeye Name: [(1R,2S)-2-methyl-1-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]butyl]ammonium CAS Name: [(2R,3S)-3-methyl-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentan-2-yl]ammonium IUPAC Name: [(2R,3S)-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentan-2-yl]azanium Traditional Name: [(1R,2S)-2-methyl-1-[(4-pyridin-1-ium-2-ylpiperazino)methyl]butyl]ammonium Formula: C15H28N4+2 MolecularWeight: 264.40962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CN1CCN(CC1)C2=CC=CC=[NH+]2)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@H](CN1CCN(CC1)C2=CC=CC=[NH+]2)[NH3+]

InChI

InChI=1S/C15H26N4/c1-3-13(2)14(16)12-18-8-10-19(11-9-18)15-6-4-5-7-17-15/h4-7,13-14H,3,8-12,16H2,1-2H3/p+2/t13-,14-/m0/s1