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

Systemtic Name: [(2S,3S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]pentan-3-yl]azanium Openeye Name: [(1S,2S)-1-ethyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propyl]ammonium CAS Name: [(2S,3S)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]pentan-3-yl]ammonium IUPAC Name: [(2S,3S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]pentan-3-yl]azanium Traditional Name: [(1S,2S)-1-ethyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propyl]ammonium Formula: C16H29N3O+2 MolecularWeight: 279.42096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)[NH+]1CCN(CC1)C2=CC=CC=C2OC)[NH3+]

Isomeric SMILES

CC[C@@H]([C@H](C)[NH+]1CCN(CC1)C2=CC=CC=C2OC)[NH3+]

InChI

InChI=1S/C16H27N3O/c1-4-14(17)13(2)18-9-11-19(12-10-18)15-7-5-6-8-16(15)20-3/h5-8,13-14H,4,9-12,17H2,1-3H3/p+2/t13-,14-/m0/s1