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

Systemtic Name: [2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [2-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [2-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [2-[4-(2-thenyl)piperazin-4-ium-1-yl]benzyl]ammonium Formula: C16H23N3S+2 MolecularWeight: 289.43892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C3=CC=CC=C3C[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C3=CC=CC=C3C[NH3+]

InChI

InChI=1S/C16H21N3S/c17-12-14-4-1-2-6-16(14)19-9-7-18(8-10-19)13-15-5-3-11-20-15/h1-6,11H,7-10,12-13,17H2/p+2