2-ethyl-1-(4-piperazin-4-ium-1-ylpiperidin-1-yl)butan-1-one

Systemtic Name: 2-ethyl-1-(4-piperazin-4-ium-1-ylpiperidin-1-yl)butan-1-one Openeye Name: 2-ethyl-1-(4-piperazin-4-ium-1-yl-1-piperidyl)butan-1-one CAS Name: 2-ethyl-1-[4-(1-piperazin-4-iumyl)-1-piperidinyl]-1-butanone IUPAC Name: 2-ethyl-1-(4-piperazin-4-ium-1-ylpiperidin-1-yl)butan-1-one Traditional Name: 2-ethyl-1-(4-piperazin-4-ium-1-ylpiperidino)butan-1-one Formula: C15H30N3O+ MolecularWeight: 268.4182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCC(CC1)N2CC[NH2+]CC2

Isomeric SMILES

CCC(CC)C(=O)N1CCC(CC1)N2CC[NH2+]CC2

InChI

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