[2-[4-(2-thiophen-2-ylethyl)piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [2-[4-(2-thiophen-2-ylethyl)piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [2-[4-[2-(2-thienyl)ethyl]piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [2-[4-(2-thiophen-2-ylethyl)-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [2-[4-(2-thiophen-2-ylethyl)piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [2-[4-[2-(2-thienyl)ethyl]piperazin-4-ium-1-yl]benzyl]ammonium Formula: C17H25N3S+2 MolecularWeight: 303.4655

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CS2)C3=CC=CC=C3C[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CS2)C3=CC=CC=C3C[NH3+]

InChI

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