[1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [1-[(3-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [1-(3-hydroxybenzyl)piperidin-1-ium-4-yl]-(4-methylpiperazino)methanone Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)O

InChI

InChI=1S/C18H27N3O2/c1-19-9-11-21(12-10-19)18(23)16-5-7-20(8-6-16)14-15-3-2-4-17(22)13-15/h2-4,13,16,22H,5-12,14H2,1H3/p+1