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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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