2-ethyl-1-(6-piperazin-4-ium-1-yl-2,3-dihydroindol-1-yl)butan-1-one

Systemtic Name: 2-ethyl-1-(6-piperazin-4-ium-1-yl-2,3-dihydroindol-1-yl)butan-1-one Openeye Name: 2-ethyl-1-(6-piperazin-4-ium-1-ylindolin-1-yl)butan-1-one CAS Name: 2-ethyl-1-[6-(1-piperazin-4-iumyl)-2,3-dihydroindol-1-yl]-1-butanone IUPAC Name: 2-ethyl-1-(6-piperazin-4-ium-1-yl-2,3-dihydroindol-1-yl)butan-1-one Traditional Name: 2-ethyl-1-(6-piperazin-4-ium-1-ylindolin-1-yl)butan-1-one Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O/c1-3-14(4-2)18(22)21-10-7-15-5-6-16(13-17(15)21)20-11-8-19-9-12-20/h5-6,13-14,19H,3-4,7-12H2,1-2H3/p+1