6-tert-butyl-3-(piperazin-4-ium-1-ylmethyl)-1H-quinolin-2-one

Systemtic Name: 6-tert-butyl-3-(piperazin-4-ium-1-ylmethyl)-1H-quinolin-2-one Openeye Name: 6-tert-butyl-3-(piperazin-4-ium-1-ylmethyl)-1H-quinolin-2-one CAS Name: 6-tert-butyl-3-(1-piperazin-4-iumylmethyl)-1H-quinolin-2-one IUPAC Name: 6-tert-butyl-3-(piperazin-4-ium-1-ylmethyl)-1H-quinolin-2-one Traditional Name: 6-tert-butyl-3-(piperazin-4-ium-1-ylmethyl)carbostyril Formula: C18H26N3O+ MolecularWeight: 300.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)NC(=O)C(=C2)CN3CC[NH2+]CC3

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)NC(=O)C(=C2)CN3CC[NH2+]CC3

InChI

InChI=1S/C18H25N3O/c1-18(2,3)15-4-5-16-13(11-15)10-14(17(22)20-16)12-21-8-6-19-7-9-21/h4-5,10-11,19H,6-9,12H2,1-3H3,(H,20,22)/p+1