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

Systemtic Name: 1-pentan-3-yl-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(1-ethylpropyl)piperazine-1,4-diium CAS Name: 1-pentan-3-yl-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-pentan-3-ylpiperazine-1,4-diium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(1-ethylpropyl)piperazine-1,4-diium Formula: C21H38N3+3 MolecularWeight: 332.54652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC(CC)[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H35N3/c1-3-20(4-2)23-14-16-24(17-15-23)21-10-12-22(13-11-21)18-19-8-6-5-7-9-19/h5-9,20-21H,3-4,10-18H2,1-2H3/p+3