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

Systemtic Name: [(2S,3S)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]pentan-3-yl]azanium Openeye Name: [(1S,2S)-1-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propyl]ammonium CAS Name: [(2S,3S)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]pentan-3-yl]ammonium IUPAC Name: [(2S,3S)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]pentan-3-yl]azanium Traditional Name: [(1S,2S)-1-ethyl-2-[4-(3-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=C2)OC)[NH3+]

Isomeric SMILES

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

InChI

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