[(2S)-2-(furan-2-yl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]azanium

Systemtic Name: [(2S)-2-(furan-2-yl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: [(2S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-(2-furyl)ethyl]ammonium CAS Name: [(2S)-2-(2-furanyl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: [(2S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-(furan-2-yl)ethyl]azanium Traditional Name: [(2S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-(2-furyl)ethyl]ammonium Formula: C17H25N3O+2 MolecularWeight: 287.3999

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(C[NH3+])C3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)[C@@H](C[NH3+])C3=CC=CO3

InChI

InChI=1S/C17H23N3O/c18-13-16(17-7-4-12-21-17)20-10-8-19(9-11-20)14-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14,18H2/p+2/t16-/m0/s1