[(2R)-2-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium

Systemtic Name: [(2R)-2-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-phenyl-2-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-phenyl-2-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-phenyl-2-[4-(2-thenyl)piperazin-4-ium-1-yl]ethyl]ammonium Formula: C17H25N3S+2 MolecularWeight: 303.4655

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(C[NH3+])C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)[C@@H](C[NH3+])C3=CC=CC=C3

InChI

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