[4-[4-(3-thiophen-2-ylpropyl)piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [4-[4-(3-thiophen-2-ylpropyl)piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [4-[4-[3-(2-thienyl)propyl]piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [4-[4-(3-thiophen-2-ylpropyl)-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [4-[4-(3-thiophen-2-ylpropyl)piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [4-[4-[3-(2-thienyl)propyl]piperazin-4-ium-1-yl]benzyl]ammonium Formula: C18H27N3S+2 MolecularWeight: 317.49208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CS2)C3=CC=C(C=C3)C[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CS2)C3=CC=C(C=C3)C[NH3+]

InChI

InChI=1S/C18H25N3S/c19-15-16-5-7-17(8-6-16)21-12-10-20(11-13-21)9-1-3-18-4-2-14-22-18/h2,4-8,14H,1,3,9-13,15,19H2/p+2