[(2R)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-thiophen-3-yl-ethyl]azanium

Systemtic Name: [(2R)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-thiophen-3-yl-ethyl]azanium Openeye Name: [(2R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-(3-thienyl)ethyl]ammonium CAS Name: [(2R)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(3-thiophenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-thiophen-3-ylethyl]azanium Traditional Name: [(2R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-(3-thienyl)ethyl]ammonium Formula: C17H25N3S+2 MolecularWeight: 303.4655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3S/c18-12-17(16-6-11-21-14-16)20-9-7-19(8-10-20)13-15-4-2-1-3-5-15/h1-6,11,14,17H,7-10,12-13,18H2/p+2/t17-/m0/s1