2-[4-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[1-[(3-chlorophenyl)methyl]-4-piperidin-1-iumyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[1-(3-chlorobenzyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Formula: C18H30ClN3O+2 MolecularWeight: 339.9033

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)CCO)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)CCO)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H28ClN3O/c19-17-3-1-2-16(14-17)15-21-6-4-18(5-7-21)22-10-8-20(9-11-22)12-13-23/h1-3,14,18,23H,4-13,15H2/p+2