1-(3-phenylpropyl)-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-(3-phenylpropyl)-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Openeye Name: 1-(3-phenylpropyl)-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium CAS Name: 1-(3-phenylpropyl)-4-(2-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-(3-phenylpropyl)-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3-phenylpropyl)-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Formula: C19H28N3+3 MolecularWeight: 298.44572

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCCC2=CC=CC=C2)CC3=CC=CC=[NH+]3

Isomeric SMILES

C1C[NH+](CC[NH+]1CCCC2=CC=CC=C2)CC3=CC=CC=[NH+]3

InChI

InChI=1S/C19H25N3/c1-2-7-18(8-3-1)9-6-12-21-13-15-22(16-14-21)17-19-10-4-5-11-20-19/h1-5,7-8,10-11H,6,9,12-17H2/p+3