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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CS2)C3=CC=CC=C3C[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CS2)C3=CC=CC=C3C[NH3+]

InChI

InChI=1S/C18H25N3S/c19-15-16-5-1-2-8-18(16)21-12-10-20(11-13-21)9-3-6-17-7-4-14-22-17/h1-2,4-5,7-8,14H,3,6,9-13,15,19H2/p+2