1-(phenylmethyl)-4-piperidin-1-ium-4-yl-piperazine-1,4-diium

Systemtic Name: 1-(phenylmethyl)-4-piperidin-1-ium-4-yl-piperazine-1,4-diium Openeye Name: 1-benzyl-4-piperidin-1-ium-4-yl-piperazine-1,4-diium CAS Name: 1-(phenylmethyl)-4-(4-piperidin-1-iumyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-piperidin-1-ium-4-ylpiperazine-1,4-diium Traditional Name: 1-benzyl-4-piperidin-1-ium-4-yl-piperazine-1,4-diium Formula: C16H28N3+3 MolecularWeight: 262.41362

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH2+]CCC1[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H25N3/c1-2-4-15(5-3-1)14-18-10-12-19(13-11-18)16-6-8-17-9-7-16/h1-5,16-17H,6-14H2/p+3