1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-(3-phenylpropyl)piperazine-1,4-diium

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-(3-phenylpropyl)piperazine-1,4-diium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(3-phenylpropyl)piperazine-1,4-diium CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-(3-phenylpropyl)piperazine-1,4-diium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(3-phenylpropyl)piperazine-1,4-diium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(3-phenylpropyl)piperazine-1,4-diium Formula: C25H38N3+3 MolecularWeight: 380.58932

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)CCCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)CCCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H35N3/c1-3-8-23(9-4-1)12-7-15-26-18-20-28(21-19-26)25-13-16-27(17-14-25)22-24-10-5-2-6-11-24/h1-6,8-11,25H,7,12-22H2/p+3