1-[1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]azepan-1-ium

Systemtic Name: 1-[1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]azepan-1-ium Openeye Name: 1-[1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]azepan-1-ium CAS Name: 1-[1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]azepan-1-ium IUPAC Name: 1-[1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]azepan-1-ium Traditional Name: 1-[1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]azepan-1-ium Formula: C23H40N3+3 MolecularWeight: 358.5838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H37N3/c1-2-7-15-25(14-6-1)23-12-18-26(19-13-23)22-10-16-24(17-11-22)20-21-8-4-3-5-9-21/h3-5,8-9,22-23H,1-2,6-7,10-20H2/p+3