2-ethyl-1-(4-piperidin-1-ium-4-ylpiperazin-1-yl)butan-1-one

Systemtic Name: 2-ethyl-1-(4-piperidin-1-ium-4-ylpiperazin-1-yl)butan-1-one Openeye Name: 2-ethyl-1-(4-piperidin-1-ium-4-ylpiperazin-1-yl)butan-1-one CAS Name: 2-ethyl-1-[4-(4-piperidin-1-iumyl)-1-piperazinyl]-1-butanone IUPAC Name: 2-ethyl-1-(4-piperidin-1-ium-4-ylpiperazin-1-yl)butan-1-one Traditional Name: 2-ethyl-1-(4-piperidin-1-ium-4-ylpiperazino)butan-1-one Formula: C15H30N3O+ MolecularWeight: 268.4182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C2CC[NH2+]CC2

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C2CC[NH2+]CC2

InChI

InChI=1S/C15H29N3O/c1-3-13(4-2)15(19)18-11-9-17(10-12-18)14-5-7-16-8-6-14/h13-14,16H,3-12H2,1-2H3/p+1