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

Systemtic Name: [(2S,3S)-1-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3-methyl-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-3-methylpentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3-methylpentan-2-yl]azanium Traditional Name: [(1S,2S)-1-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-butyl]ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O/c1-4-14(2)17(18)13-19-8-10-20(11-9-19)15-6-5-7-16(12-15)21-3/h5-7,12,14,17H,4,8-11,13,18H2,1-3H3/p+2/t14-,17+/m0/s1