ethyl-(phenylmethyl)-[1-(pyridin-1-ium-4-ylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: ethyl-(phenylmethyl)-[1-(pyridin-1-ium-4-ylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: benzyl-ethyl-[1-(pyridin-1-ium-4-ylmethyl)piperidin-1-ium-4-yl]ammonium CAS Name: ethyl-(phenylmethyl)-[1-(4-pyridin-1-iumylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: benzyl-ethyl-[1-(pyridin-1-ium-4-ylmethyl)piperidin-1-ium-4-yl]azanium Traditional Name: benzyl-ethyl-[1-(pyridin-1-ium-4-ylmethyl)piperidin-1-ium-4-yl]ammonium Formula: C20H30N3+3 MolecularWeight: 312.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC=[NH+]C=C3

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC=[NH+]C=C3

InChI

InChI=1S/C20H27N3/c1-2-23(17-18-6-4-3-5-7-18)20-10-14-22(15-11-20)16-19-8-12-21-13-9-19/h3-9,12-13,20H,2,10-11,14-17H2,1H3/p+3