[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(2-thienylmethyl)ammonium CAS Name: [2-(1-azocanyl)-3-pyridin-1-iumyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(2-thenyl)ammonium Formula: C18H27N3S+2 MolecularWeight: 317.49208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CC=CS3

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CC=CS3

InChI

InChI=1S/C18H25N3S/c1-2-4-11-21(12-5-3-1)18-16(8-6-10-20-18)14-19-15-17-9-7-13-22-17/h6-10,13,19H,1-5,11-12,14-15H2/p+2