1-(5-piperazin-4-ium-1-yl-2,3-dihydroindol-1-yl)butan-1-one

Systemtic Name: 1-(5-piperazin-4-ium-1-yl-2,3-dihydroindol-1-yl)butan-1-one Openeye Name: 1-(5-piperazin-4-ium-1-ylindolin-1-yl)butan-1-one CAS Name: 1-[5-(1-piperazin-4-iumyl)-2,3-dihydroindol-1-yl]-1-butanone IUPAC Name: 1-(5-piperazin-4-ium-1-yl-2,3-dihydroindol-1-yl)butan-1-one Traditional Name: 1-(5-piperazin-4-ium-1-ylindolin-1-yl)butan-1-one Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC2=C1C=CC(=C2)N3CC[NH2+]CC3

Isomeric SMILES

CCCC(=O)N1CCC2=C1C=CC(=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C16H23N3O/c1-2-3-16(20)19-9-6-13-12-14(4-5-15(13)19)18-10-7-17-8-11-18/h4-5,12,17H,2-3,6-11H2,1H3/p+1