1-(furan-2-ylmethyl)-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium

Systemtic Name: 1-(furan-2-ylmethyl)-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(2-furylmethyl)piperazine-1,4-diium CAS Name: 1-(2-furanylmethyl)-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(furan-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(2-furfuryl)piperazine-1,4-diium Formula: C21H32N3O+3 MolecularWeight: 342.49828

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)CC3=CC=CO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)CC3=CC=CO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H29N3O/c1-2-5-19(6-3-1)17-22-10-8-20(9-11-22)24-14-12-23(13-15-24)18-21-7-4-16-25-21/h1-7,16,20H,8-15,17-18H2/p+3