(4-ethylpiperazin-4-ium-1-yl)-[1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-4-yl]methanone Formula: C20H33N3O3+2 MolecularWeight: 363.49432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)O

InChI

InChI=1S/C20H31N3O3/c1-3-21-11-13-23(14-12-21)20(25)16-7-9-22(10-8-16)15-17-5-4-6-18(26-2)19(17)24/h4-6,16,24H,3,7-15H2,1-2H3/p+2